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{"words":"$head_words:流感样症状+$head_words:磷酸奥司他韦+$head_words:抗病毒类药物+$head_words:抗生素","themeword":"$head_words","params":"$title:磷酸奥司他韦治疗流感样症状患者的疗效和药理分析"}
&&&磷酸奥司他韦治疗流感样症状患者的疗效和药理分析
磷酸奥司他韦治疗流感样症状患者的疗效和药理分析
目的 分析和研究磷酸奥司他韦治疗流感样症状患者的疗效和药理作用.方法 我们选取2010年3月--2012年3月流感样的症状患者108例,将其按双盲随机方法分为两组,观察组54例与对照组54例.对照组患者给予抗流感常规治疗,观察组患者给予磷酸奥司他韦治疗.两组患者治疗结束后,将其治疗效果进行对比.结果 观察组患者的发热缓解时间、症状缓解时间、总病程均低于对照组(P＜0.05),具有统计学意义.两组患者在用药期间的不良反应发生率没有明显的差异(P＞0.05),无统计学意义.结论 磷酸奥司他韦应用于流感样症状的患者治疗中,能够明显改善患者的临床症状,退热较快速,有效控制病情发展,并且患者在用药期间不良反应小,安全性较高,值得临床应用与推广.
摘要： 目的 分析和研究磷酸奥司他韦治疗流感样症状患者的疗效和药理作用.方法 我们选取2010年3月--2012年3月流感样的症状患者108例,将其按双盲随机方法分为两组,观察组54例与对照组54例.对照组患者给予抗流感常规治疗,观察组患者给予磷酸奥司他韦治疗.两组患者治疗结束后,将其治疗效果进行对比.结果 观察组患者的发热缓解时间、症状缓解时间、总病程均低于对照组...&&
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and The asymmetric unit of the title complex, [Hg(C11H12N2)2](PF6)2, consists of one bis­(1-benzyl-3-methyl­imidazolium)mercury(II) cation, one half of the cation and an additional HgII atom, which lies on an inversion centre, and three hexa­fluorido­phosphate anions. The HgII atoms exist in a linear coordination geometry [C-Hg-C = 178.9&(2) and 180&] formed by two carbene C atoms from the imidazole rings. In the crystal, the cations and anions are connected via C-HF hydrogen bonds, forming a three-dimensional network.Crystallographic Information File (CIF)
Contains datablocks global, IStructure factor file (CIF format)
Contains datablock I
Key indicators
Single-crystal X-ray study
Mean (C-C) = 0.008 &A
R factor = 0.032
wR factor = 0.087
Data-to-parameter ratio =
checkCIF/PLATON results
No syntax errors found
Alert level B
Large Calcd. Positive Residual Density on
Alert level C
Calc. and Reported MoietyFormula Strings
'Solvent' Ueq as Compared to Neighbors of
'Solvent' Ueq as Compared to Neighbors of
'Solvent' Ueq as Compared to Neighbors of
Missing # of FCF Reflections Below Th(Min) .....
Missing # FCF Refl Between THmin & STh/L=
Large Calcd. Non-Metal Positive Residual Density
Large Calcd. Non-Metal Positive Residual Density
Large Calcd. Positive Residual Density on
Alert level G
There is a discrepancy between the atom counts in the
_chemical_formula_sum and _chemical_formula_moiety. This is
usually due to the moiety formula being in the wrong format.
Atom count from _chemical_formula_sum:
C22 H24 F12 Hg1 N4 P2
Atom count from _chemical_formula_moiety:C22 H24 F24 Hg1 N4 P4
No _iucr_refine_instructions_details in CIF ....
Percentage of Observed Data at Theta(Max) still
Number of Intensities with I .LT. - 2*sig(I) ...
0 ALERT level A = Most likely a serious problem - resolve or explain
1 ALERT level B = A potentially serious problem, consider carefully
9 ALERT level C = Check. Ensure it is not caused by an omission or oversight
4 ALERT level G = General information/check it is not something unexpected
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
4 ALERT type 2 Indicator that the structure model may be wrong or deficient
4 ALERT type 3 Indicator that the structure quality may be low
3 ALERT type 4 Improvement, methodology, query or suggestion
1 ALERT type 5 Informative message, check
In the last two decades, N-heterocyclic carbene (NHC) ligands have
emerged as useful and versatile ligands in organometallic chemistry
(Herrmann, 2002). The chemistry of NHCs attracted much attention after
isolation of the first stable, crystalline free carbene (Arduengo
et al., 1991) which was [1,3-bis(adamantly)imidazole-2-ylidene].
Carbene ligands have some similarities to phosphine ligands, but metal-
carbene complexes are often more stable than similar metal phosphine
complexes (Herrmann et al., 1998; McGuinness et al.,
The first mercury(II)-NHC complex was prepared by Wanzlick and
Schönherr (1968)
via direct reaction of an imidazolium salt with
mercury(II) acetate. However, in spite of being the earliest example
of NHC-metal complexes prepared, NHC-mercury complexes have received
little attention compared with other metals. Similarly, their applications
have not been widely explored.The asymmetric unit of title complex (I) consists of one bis(1-benzyl-3-
methylimidazolium)mercury(II) cation, a half of the (1-benzyl-3-methyl
imidazolium)mercury(II) cation (which lies on an inversion centre) and three
hexafluorophosphate anions as shown in Fig. 1. The HgII atom exists
in a linear coordination geometry formed by two C atoms from the
imidazole rings. The bond distances of Hg1–C8 = 2.070 (5) Å;
Hg1–C19 = 2.073 (5) Å and Hg2–C30 = 2.070 (5) Å.
The distorted
octahedral geometry of phosphate ion has typical P–F distances
[1.578 (4)&# (3) Å] and F—P—F angles [88.37 (19)&# (2)°].
All bond lengths and bond angles in (I) are in the range of expected values.In the crystal structure (Fig. 2), ions are connected by C10—H10A···F15;
C13—H13A···F7; C18—H18A···F5; C18—H18B···F13; C21—H21A···F12;
C29—H29B···F17 and C31—H31A···F11 hydrogen bonds (Table 1), forming a
three-dimensional network.
For details of N-heterocyclic carbenes, see: Herrmann (2002);
et al. (1991); Herrmann et al. (1998); McGuinness
(1999); Wanzlick & Schönherr (1968). For the stability of the
temperature
controller used in the data collection, see: Cosier & Glazer (1986).
Hg(OAc)2 (0.35 g, 1.09 mmol) was added to a solution of
1-benzyl-3-methylimidazolium hexafluorophosphate (0.6 g, 1.88) in 40 ml of
acetonitrile. The mixture was refluxed at 353&# K for 18 h to give
a clear solution. The solvent was removed under reduced pressure to
afford a white solid. The white solid was collected, washed with distilled
water (3 × 5 ml) and recrystallized from acetonitrile. Yield: 62.4 %,
m.p. = 540&# °C. Crystal suitable for X-ray analysis was obtained by
slow diffusion of diethyl ether into solution of the complex in acetonitrile.
All hydrogen atoms were positioned geometrically
(C—H = 0.93&# Å)
and were refined using a riding model,
with Uiso(H) = 1.2 or 1.5Ueq(C).
A rotating group model was applied to the methyl groups.
The highest residual electron density peak is located at 1.30 Å from C8
and the deepest hole 0.96 Å located at from Hg2.
Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).
The asymmetric unit of the title compound, showing 30% probability
displacement ellipsoids and the atom-numbering scheme.
N5A–N6A/C23A–C32A are generated by the symmetry code
-x, -y, -z (H atoms are omitted for clarity).
The crystal packing of the title compound, showing hydrogen-bonded
(dashed lines) network.
[Hg(C11H12N2)2](PF6)2F(000) = 2412Mr = 834.98Dx = 2.069 Mg m3Monoclinic, P21/cMo K radiation,
= 0.71073 ÅHall symbol:
-P 2ybcCell parameters from 9967 reflectionsa = 15.1260 (17) Å = 2.8&#°b = 10.3044 (11) ŵ = 5.97 mm1c = 26.398 (3) ÅT = 100 K = 102.275 (2)°Plate, colourlessV = )
Å30.34 × 0.32 × 0.05 mmZ = 6
Bruker APEXII DUO CCD area-detector diffractometer7062 independent reflectionsRadiation source: fine-focus sealed tube5985 reflections with I > 2(I)Graphite monochromatorRint = 0.046 and
scansmax = 25.0°, min = 1.9°Absorption correction: multi-scan (SADABS; Bruker, 2009)h = 1717Tmin = 0.233, Tmax = 0.751k = 121223876 measured reflectionsl = 3131
Refinement on F2Primary atom site location: structure-invariant direct methodsLeast-squares matrix: fullSecondary atom site location: difference Fourier mapR[F2 > 2(F2)] = 0.032Hydrogen site location: inferred from neighbouring siteswR(F2) = 0.087H-atom parameters constrainedS = 1.06
w = 1/[2(Fo2) + (0.0446P)2 + 4.1101P]
where P = (Fo2 + 2Fc2)/37062 reflections(Δ/)max = 0.002559 parametersΔmax = 1.71 e Å30 restraintsΔmin = 2.05 e Å3
[Hg(C11H12N2)2](PF6)2V = )
Å3Mr = 834.98Z = 6Monoclinic, P21/cMo K radiationa = 15.1260 (17) ŵ = 5.97 mm1b = 10.3044 (11) ÅT = 100 Kc = 26.398 (3) Å0.34 × 0.32 × 0.05 mm = 102.275 (2)°
Bruker APEXII DUO CCD area-detector diffractometer7062 independent reflectionsAbsorption correction: multi-scan (SADABS; Bruker, 2009)5985 reflections with I > 2(I)Tmin = 0.233, Tmax = 0.751Rint = 0.04623876 measured reflections
R[F2 > 2(F2)] = 0.0320 restraintswR(F2) = 0.087H-atom parameters constrainedS = 1.06Δmax = 1.71 e Å37062 reflectionsΔmin = 2.05 e Å3559 parameters
Experimental. The crystal was placed in the cold stream of an Oxford Cryosystems Cobra
open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at
100.0 (1) K.
Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.
The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry.
An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections.
The weighted R-factor wR and
goodness of fit S are based on F2, conventional R-factors R are based
on F, with F set to zero for negative F2. The threshold expression of
F2 > 2(F2) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.
R-factors based
on F2 are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
xyzUiso*/UeqHg10.)0.97602 (2)0.)0.01976 (8)N10.4304 (3)0.7691 (4)0.40062 (17)0.0236 (10)N20.5155 (3)0.8950 (4)0.36710 (16)0.0224 (10)N30.2029 (3)1.1919 (4)0.27283 (16)0.0202 (9)N40.1147 (3)1.0569 (4)0.30011 (16)0.0212 (10)C10.2034 (4)0.7697 (6)0.4355 (2)0.0257 (12)H1A0.17900.69580.41760.031*C20.1494 (4)0.8480 (6)0.4601 (2)0.0274 (13)H2A0.08950.82560.45890.033*C30.1852 (4)0.9572 (6)0.4857 (2)0.0286 (13)H3A0.14961.00860.50240.034*C40.2739 (4)0.9921 (6)0.4872 (2)0.0300 (14)H4A0.29721.06780.50400.036*C50.3283 (4)0.9140 (5)0.4635 (2)0.0242 (12)H5A0.38820.93690.46490.029*C60.2933 (3)0.8026 (5)0.43784 (19)0.0217 (11)C70.3504 (4)0.7083 (6)0.4139 (2)0.0297 (13)H7A0.36990.63790.43800.036*H7B0.31320.67140.38270.036*C80.4286 (3)0.8703 (5)0.3685 (2)0.0219 (11)C90.5174 (4)0.7287 (6)0.4192 (2)0.0274 (13)H9A0.53600.66020.44190.033*C100.5708 (4)0.8078 (6)0.3981 (2)0.0284 (13)H10A0.63360.80390.40350.034*C110.5465 (4)0.9991 (6)0.3372 (2)0.0317 (14)H11A0.49761.02590.30970.048*H11B0.59560.96800.32270.048*H11C0.56661.07150.35950.048*C120.4378 (4)1.2409 (6)0.2515 (2)0.0265 (12)H12A0.45321.31400.27220.032*C130.5017 (4)1.1815 (6)0.2282 (2)0.0284 (13)H13A0.55991.21520.23320.034*C140.4788 (4)1.0730 (6)0.1976 (2)0.0269 (13)H14A0.52141.03490.18150.032*C150.3924 (4)1.0201 (5)0.1908 (2)0.0278 (13)H15A0.37750.94530.17110.033*C160.3284 (3)1.0807 (5)0.21380 (19)0.0221 (12)H16A0.27021.04660.20880.027*C170.3499 (3)1.1894 (5)0.24355 (19)0.0202 (11)C180.2829 (3)1.2660 (5)0.2668 (2)0.0224 (12)H18A0.31341.29790.30060.027*H18B0.26311.34070.24500.027*C190.2020 (3)1.0841 (5)0.30121 (19)0.0207 (11)C200.1155 (3)1.2331 (6)0.2541 (2)0.0249 (12)H20A0.09781.30530.23320.030*C210.0606 (3)1.1502 (6)0.2714 (2)0.0273 (13)H21A0.00221.15470.26530.033*C220.0795 (4)0.9499 (6)0.3266 (2)0.0300 (13)H22A0.12770.91340.35220.045*H22B0.05480.88430.30180.045*H22C0.03310.98180.34310.045*P10.45866 (9)0.30179 (15)0.42352 (5)0.0234 (3)F10.5096 (3)0.1820 (4)0.45364 (15)0.0601 (12)F20.5246 (2)0.3987 (5)0.46037 (15)0.0600 (13)F30.3896 (2)0.3037 (4)0.46149 (12)0.0484 (11)F40.4061 (2)0.4205 (3)0.39212 (14)0.0442 (9)F50.3921 (2)0.2045 (3)0.38564 (13)0.0337 (8)F60.5263 (2)0.2995 (3)0.38445 (12)0.0330 (8)P20.21906 (9)0.66755 (14)0.24439 (5)0.0218 (3)F70.2844 (2)0.7903 (3)0.24821 (13)0.0356 (8)F80.1816 (3)0.7220 (4)0.29269 (14)0.0482 (10)F90.2952 (2)0.5900 (3)0.28381 (13)0.0348 (8)F100.1427 (2)0.7453 (4)0.20554 (15)0.0467 (10)F110.2578 (2)0.6126 (4)0.19728 (12)0.0407 (9)F120.1528 (2)0.5457 (3)0.24149 (13)0.0366 (8)Hg20.00000.00000.00000.01912 (9)N50.1234 (3)0.1955 (5)0.06934 (16)0.0235 (10)N60.2023 (3)0.0628 (5)0.03454 (16)0.0221 (10)C230.1087 (3)0.2497 (5)0.09363 (19)0.0243 (12)H23A0.12110.32830.07630.029*C240.1761 (4)0.1875 (6)0.1134 (2)0.0298 (14)H24A0.23320.22450.10910.036*C250.1581 (4)0.0723 (6)0.1391 (2)0.0271 (13)H25A0.20280.03150.15260.033*C260.0732 (4)0.0163 (5)0.1451 (2)0.0275 (13)H26A0.06130.06270.16220.033*C270.0054 (4)0.0778 (6)0.12544 (19)0.0245 (12)H27A0.05160.04020.12970.029*C280.0231 (3)0.1943 (5)0.09981 (19)0.0223 (12)C290.0482 (4)0.2735 (6)0.0805 (2)0.0265 (12)H29A0.01930.31910.04920.032*H29B0.07270.33810.10640.032*C300.1169 (3)0.0956 (5)0.03602 (19)0.0194 (11)C310.2122 (4)0.2274 (6)0.0878 (2)0.0278 (13)H31A0.23410.29380.11090.033*C320.2616 (4)0.1437 (6)0.0659 (2)0.0288 (13)H32A0.32440.14140.07120.035*C330.2284 (4)0.0431 (6)0.0037 (2)0.0283 (13)H33A0.17740.06750.02300.042*H33B0.24780.11640.02580.042*H33C0.27700.01490.01180.042*P30.12543 (9)0.28634 (14)0.09916 (5)0.0229 (3)F130.1781 (3)0.3315 (4)0.15507 (13)0.0482 (10)F140.0398 (2)0.2474 (4)0.12232 (14)0.0420 (9)F150.2103 (2)0.3240 (4)0.07545 (13)0.0426 (9)F160.0722 (2)0.2397 (3)0.04238 (12)0.0351 (8)F170.0841 (2)0.4277 (3)0.08649 (13)0.0371 (8)F180.1647 (2)0.1422 (3)0.11060 (12)0.0348 (8)
U11U22U33U12U13U23Hg10.01747 (12)0.02072 (13)0.02189 (12)0.00238 (8)0.00597 (8)0.00041 (8)N10.029 (3)0.018 (2)0.027 (2)0.008 (2)0.013 (2)0.0043 (19)N20.022 (2)0.022 (2)0.025 (2)0.002 (2)0.0088 (19)0.0036 (19)N30.015 (2)0.023 (2)0.025 (2)0.0042 (19)0.0085 (18)0.0001 (19)N40.017 (2)0.025 (2)0.024 (2)0.000 (2)0.0084 (18)0.000 (2)C10.027 (3)0.026 (3)0.024 (3)0.008 (2)0.005 (2)0.003 (2)C20.023 (3)0.036 (3)0.024 (3)0.002 (3)0.008 (2)0.006 (3)C30.028 (3)0.035 (3)0.028 (3)0.007 (3)0.015 (2)0.005 (3)C40.034 (3)0.028 (3)0.031 (3)0.001 (3)0.012 (3)0.004 (2)C50.021 (3)0.028 (3)0.025 (3)0.001 (2)0.007 (2)0.001 (2)C60.022 (3)0.023 (3)0.020 (3)0.003 (2)0.004 (2)0.003 (2)C70.033 (3)0.020 (3)0.042 (3)0.001 (3)0.022 (3)0.003 (3)C80.023 (3)0.019 (3)0.025 (3)0.004 (2)0.009 (2)0.002 (2)C90.029 (3)0.029 (3)0.024 (3)0.013 (3)0.005 (2)0.004 (2)C100.019 (3)0.038 (4)0.026 (3)0.009 (3)0.001 (2)0.003 (3)C110.028 (3)0.032 (3)0.040 (4)0.001 (3)0.018 (3)0.000 (3)C120.023 (3)0.027 (3)0.030 (3)0.002 (2)0.007 (2)0.002 (2)C130.016 (3)0.034 (3)0.038 (3)0.000 (2)0.011 (2)0.012 (3)C140.026 (3)0.028 (3)0.031 (3)0.007 (3)0.016 (2)0.008 (2)C150.037 (3)0.025 (3)0.023 (3)0.004 (3)0.012 (3)0.000 (2)C160.018 (3)0.026 (3)0.025 (3)0.004 (2)0.009 (2)0.002 (2)C170.016 (3)0.022 (3)0.024 (3)0.005 (2)0.009 (2)0.005 (2)C180.021 (3)0.022 (3)0.026 (3)0.002 (2)0.008 (2)0.002 (2)C190.018 (3)0.024 (3)0.023 (3)0.003 (2)0.012 (2)0.001 (2)C200.018 (3)0.029 (3)0.027 (3)0.008 (2)0.003 (2)0.001 (2)C210.015 (3)0.035 (3)0.031 (3)0.003 (2)0.004 (2)0.001 (3)C220.023 (3)0.031 (3)0.040 (3)0.002 (3)0.016 (3)0.007 (3)P10.0168 (7)0.0314 (8)0.0225 (7)0.0002 (6)0.0054 (6)0.0045 (6)F10.044 (2)0.074 (3)0.061 (3)0.021 (2)0.009 (2)0.033 (2)F20.036 (2)0.088 (3)0.058 (2)0.017 (2)0.0141 (19)0.044 (2)F30.0268 (18)0.094 (3)0.0278 (18)0.002 (2)0.0140 (15)0.008 (2)F40.044 (2)0.028 (2)0.063 (2)0.0109 (17)0.0169 (19)0.0044 (18)F50.0269 (17)0.0280 (19)0.048 (2)0.0072 (15)0.0110 (15)0.0115 (16)F60.0233 (17)0.046 (2)0.0332 (18)0.0088 (16)0.0142 (14)0.0085 (16)P20.0182 (7)0.0220 (7)0.0261 (7)0.0002 (6)0.0068 (6)0.0002 (6)F70.0307 (18)0.0258 (19)0.052 (2)0.0038 (15)0.0115 (16)0.0000 (16)F80.066 (3)0.038 (2)0.053 (2)0.009 (2)0.041 (2)0.0030 (18)F90.0252 (17)0.035 (2)0.043 (2)0.0026 (15)0.0034 (15)0.0113 (16)F100.0290 (19)0.044 (2)0.063 (2)0.0097 (17)0.0005 (17)0.0187 (19)F110.054 (2)0.040 (2)0.0351 (19)0.0009 (18)0.0250 (17)0.0065 (16)F120.0218 (17)0.0309 (19)0.056 (2)0.0058 (15)0.0061 (15)0.0047 (17)Hg20.01532 (15)0.02267 (16)0.02001 (15)0.00282 (11)0.00519 (11)0.00063 (11)N50.023 (2)0.026 (3)0.022 (2)0.007 (2)0.0074 (19)0.001 (2)N60.019 (2)0.028 (3)0.021 (2)0.001 (2)0.0081 (18)0.000 (2)C230.026 (3)0.023 (3)0.024 (3)0.006 (2)0.006 (2)0.000 (2)C240.020 (3)0.041 (4)0.032 (3)0.006 (3)0.012 (2)0.010 (3)C250.031 (3)0.030 (3)0.025 (3)0.008 (3)0.015 (2)0.007 (2)C260.035 (3)0.024 (3)0.027 (3)0.007 (3)0.015 (3)0.002 (2)C270.024 (3)0.029 (3)0.023 (3)0.001 (2)0.012 (2)0.001 (2)C280.022 (3)0.023 (3)0.023 (3)0.001 (2)0.007 (2)0.003 (2)C290.028 (3)0.026 (3)0.029 (3)0.001 (3)0.012 (2)0.001 (2)C300.014 (3)0.023 (3)0.023 (3)0.001 (2)0.008 (2)0.000 (2)C310.024 (3)0.040 (4)0.020 (3)0.013 (3)0.005 (2)0.002 (2)C320.016 (3)0.040 (4)0.030 (3)0.007 (3)0.004 (2)0.004 (3)C330.024 (3)0.030 (3)0.036 (3)0.000 (3)0.017 (3)0.002 (3)P30.0212 (7)0.0235 (8)0.0252 (7)0.0024 (6)0.0078 (6)0.0020 (6)F130.064 (2)0.045 (2)0.0311 (19)0.007 (2)0.0009 (18)0.0066 (17)F140.038 (2)0.040 (2)0.057 (2)0.0023 (17)0.0284 (18)0.0121 (18)F150.0201 (17)0.057 (3)0.054 (2)0.0034 (17)0.0155 (16)0.0187 (19)F160.0354 (19)0.035 (2)0.0321 (18)0.0034 (16)0.0011 (15)0.0069 (15)F170.046 (2)0.0260 (19)0.042 (2)0.0047 (17)0.0158 (17)0.0026 (16)F180.0357 (19)0.0311 (19)0.0369 (19)0.0091 (16)0.0061 (15)0.0029 (15)
Hg1—C82.070 (5)C21—H21A0.9300Hg1—C192.073 (5)C22—H22A0.9600N1—C81.341 (7)C22—H22B0.9600N1—C91.367 (7)C22—H22C0.9600N1—C71.470 (7)P1—F11.578 (4)N2—C81.348 (6)P1—F21.589 (4)N2—C101.373 (7)P1—F41.592 (4)N2—C111.467 (7)P1—F31.594 (3)N3—C191.341 (7)P1—F61.600 (3)N3—C201.377 (6)P1—F51.610 (3)N3—C181.467 (6)P2—F111.588 (3)N4—C191.344 (6)P2—F101.588 (4)N4—C211.380 (7)P2—F91.593 (3)N4—C221.464 (7)P2—F71.595 (3)C1—C61.391 (7)P2—F121.598 (3)C1—C21.401 (8)P2—F81.603 (3)C1—H1A0.9300Hg2—C30i2.070 (5)C2—C31.365 (8)Hg2—C302.070 (5)C2—H2A0.9300N5—C301.344 (7)C3—C41.381 (8)N5—C311.368 (7)C3—H3A0.9300N5—C291.472 (7)C4—C51.392 (8)N6—C301.344 (6)C4—H4A0.9300N6—C321.368 (7)C5—C61.379 (8)N6—C331.465 (7)C5—H5A0.9300C23—C281.393 (7)C6—C71.523 (7)C23—C241.396 (7)C7—H7A0.9700C23—H23A0.9300C7—H7B0.9700C24—C251.365 (8)C9—C101.350 (8)C24—H24A0.9300C9—H9A0.9300C25—C261.387 (8)C10—H10A0.9300C25—H25A0.9300C11—H11A0.9600C26—C271.395 (7)C11—H11B0.9600C26—H26A0.9300C11—H11C0.9600C27—C281.376 (8)C12—C131.393 (7)C27—H27A0.9300C12—C171.405 (7)C28—C291.524 (7)C12—H12A0.9300C29—H29A0.9700C13—C141.379 (8)C29—H29B0.9700C13—H13A0.9300C31—C321.350 (8)C14—C151.392 (8)C31—H31A0.9300C14—H14A0.9300C32—H32A0.9300C15—C161.396 (7)C33—H33A0.9600C15—H15A0.9300C33—H33B0.9600C16—C171.367 (7)C33—H33C0.9600C16—H16A0.9300P3—F131.591 (4)C17—C181.514 (7)P3—F151.591 (3)C18—H18A0.9700P3—F171.592 (4)C18—H18B0.9700P3—F141.597 (3)C20—C211.337 (7)P3—F181.604 (3)C20—H20A0.9300P3—F161.616 (3)C8—Hg1—C19178.9 (2)F1F290.4 (3)C8C9110.7 (5)F1F4178.7 (3)C8C7125.1 (5)F2F490.9 (2)C9C7124.3 (5)F1F390.5 (2)C8C10109.6 (4)F2F391.0 (2)C8C11125.3 (5)F4F389.8 (2)C10C11125.1 (5)F1F690.1 (2)C19C20109.5 (4)F2F689.97 (19)C19C18126.7 (4)F4F689.56 (19)C20C18123.5 (5)F3F6178.9 (2)C19C21109.3 (4)F1F590.0 (2)C19C22127.0 (5)F2F5179.4 (2)C21C22123.6 (4)F4F588.73 (19)C6C2120.0 (5)F3F589.51 (19)C6H1A120.0F6F589.53 (17)C2H1A120.0F11F1090.7 (2)C3C1119.7 (5)F11F989.8 (2)C3H2A120.1F10F9179.4 (2)C1H2A120.1F11F790.32 (19)C2C4120.6 (5)F10F789.8 (2)C2H3A119.7F9F790.26 (19)C4H3A119.7F11F1290.8 (2)C3C5120.0 (6)F10F1290.18 (19)C3H4A120.0F9F1289.78 (19)C5H4A120.0F7F12178.9 (2)C6C4120.0 (5)F11F8178.9 (2)C6H5A120.0F10F890.3 (2)C4H5A120.0F9F889.1 (2)C5C1119.6 (5)F7F889.5 (2)C5C7122.8 (5)F12F889.4 (2)C1C7117.5 (5)C30i—Hg2—C30180.0 (4)N1C6113.3 (5)C30C31110.4 (5)N1H7A108.9C30C29126.6 (4)C6H7A108.9C31C29122.6 (5)N1H7B108.9C30C32109.9 (4)C6H7B108.9C30C33125.3 (5)H7AH7B107.7C32C33124.8 (5)N1N2105.9 (5)C28C24120.2 (5)N1Hg1126.1 (4)C28H23A119.9N2Hg1127.7 (4)C24H23A119.9C10N1106.4 (5)C25C23120.1 (5)C10H9A126.8C25H24A120.0N1H9A126.8C23H24A120.0C9N2107.4 (5)C24C26120.0 (5)C9H10A126.3C24H25A120.0N2H10A126.3C26H25A120.0N2H11A109.5C25C27120.3 (5)N2H11B109.5C25H26A119.8H11AH11B109.5C27H26A119.8N2H11C109.5C28C26119.8 (5)H11AH11C109.5C28H27A120.1H11BH11C109.5C26H27A120.1C13C17119.4 (5)C27C23119.6 (5)C13H12A120.3C27C29123.6 (5)C17H12A120.3C23C29116.6 (5)C14C12120.2 (5)N5C28114.0 (5)C14H13A119.9N5H29A108.8C12H13A119.9C28H29A108.8C13C15120.3 (5)N5H29B108.8C13H14A119.8C28H29B108.8C15H14A119.8H29AH29B107.7C14C16119.2 (5)N6N5105.9 (4)C14H15A120.4N6Hg2126.9 (4)C16H15A120.4N5Hg2127.0 (4)C17C15121.0 (5)C32N5106.6 (5)C17H16A119.5C32H31A126.7C15H16A119.5N5H31A126.7C16C12119.8 (5)C31N6107.2 (5)C16C18124.2 (5)C31H32A126.4C12C18115.9 (5)N6H32A126.4N3C17114.3 (4)N6H33A109.5N3H18A108.7N6H33B109.5C17H18A108.7H33AH33B109.5N3H18B108.7N6H33C109.5C17H18B108.7H33AH33C109.5H18AH18B107.6H33BH33C109.5N3N4106.7 (5)F13F1590.4 (2)N3Hg1125.0 (4)F13F1791.4 (2)N4Hg1128.1 (4)F15F1790.44 (19)C21N3107.4 (5)F13F1490.3 (2)C21H20A126.3F15F14179.3 (2)N3H20A126.3F17F1489.77 (19)C20N4107.1 (4)F13F1890.2 (2)C20H21A126.4F15F1890.16 (19)N4H21A126.4F17F18178.3 (2)N4H22A109.5F14F1889.61 (19)N4H22B109.5F13F16179.7 (2)H22AH22B109.5F15F1689.57 (19)N4H22C109.5F17F1688.93 (19)H22AH22C109.5F14F1689.74 (19)H22BH22C109.5F18F1689.47 (18)C6C2—C30.8 (8)C18C19—N4173.6 (4)C1C3—C40.7 (9)C20C19—Hg1175.8 (4)C2C4—C51.6 (9)C18C19—Hg111.0 (7)C3C5—C60.9 (9)C21C19—N31.1 (6)C4C6—C10.6 (8)C22C19—N3178.4 (5)C4C6—C7176.1 (5)C21C19—Hg1176.2 (4)C2C6—C51.5 (8)C22C19—Hg16.5 (8)C2C6—C7175.5 (5)C19C20—C210.4 (6)C8C7—C658.1 (7)C18C20—C21173.1 (5)C9C7—C6122.6 (6)N3C21—N41.0 (6)C5C7—N124.6 (7)C19C21—C201.3 (6)C1C7—N1158.5 (5)C22C21—C20178.7 (5)C9C8—N20.6 (6)C28C24—C250.2 (8)C7C8—N2179.9 (5)C23C25—C260.7 (8)C9C8—Hg1175.3 (4)C24C26—C270.8 (8)C7C8—Hg15.4 (8)C25C27—C280.4 (8)C10C8—N10.7 (6)C26C28—C230.1 (8)C11C8—N1179.3 (5)C26C28—C29175.4 (5)C10C8—Hg1175.2 (4)C24C28—C270.2 (8)C11C8—Hg14.7 (8)C24C28—C29175.7 (5)C8C9—C100.3 (6)C30C29—C2857.7 (7)C7C9—C10179.7 (5)C31C29—C28130.7 (5)N1C10—N20.1 (6)C27C29—N526.5 (7)C8C10—C90.5 (6)C23C29—N5157.8 (5)C11C10—C9179.5 (5)C32C30—N51.3 (6)C17C13—C140.2 (8)C33C30—N5179.1 (5)C12C14—C151.4 (8)C32C30—Hg2175.8 (4)C13C15—C162.1 (8)C33C30—Hg24.5 (8)C14C16—C171.1 (8)C31C30—N61.4 (6)C15C17—C120.4 (8)C29C30—N6173.9 (5)C15C17—C18175.7 (5)C31C30—Hg2175.9 (4)C13C17—C161.1 (8)C29C30—Hg211.6 (8)C13C17—C18175.4 (5)C30C31—C321.0 (6)C19C18—C1760.2 (7)C29C31—C32173.8 (5)C20C18—C17127.5 (5)N5C32—N60.2 (6)C16C18—N322.5 (7)C30C32—C310.7 (6)C12C18—N3161.2 (5)C33C32—C31179.6 (5)C20C19—N40.5 (6)
Symmetry code:
(i) x, y, z.
D—H···AD—HH···AD···AD—H···AC10—H10A···F15ii0.932.323.240 (7)171C11—H11C···F6iii0.962.553.375 (7)144C13—H13A···F7ii0.932.433.355 (7)175C18—H18A···F5iii0.972.503.282 (6)138C18—H18B···F13iii0.972.453.111 (6)125C21—H21A···F12iv0.932.513.351 (6)150C29—H29B···F17v0.972.483.125 (7)123C31—H31A···F11v0.932.433.271 (6)150Symmetry codes:
(ii) x+1, y+1/2, z+1/2; (iii) x, y+1, z; (iv) x, y+1/2, z+1/2; (v) x, y+1, z.
Crystal dataChemical formula[Hg(C11H12N2)2](PF6)2Mr834.98Crystal system, space groupMonoclinic, P21/cTemperature (K)100a, b, c (Å)15.1260 (17), 10.3044 (11), 26.398 (3) (°) 102.275 (2)V (Å3))Z6Radiation typeMo Kµ (mm1)5.97Crystal size (mm)0.34 × 0.32 × 0.05 Data collectionDiffractometerBruker APEXII DUO CCD area-detector diffractometerAbsorption correctionMulti-scan (SADABS; Bruker, 2009)
Tmin, Tmax0.233, 0.751No. of measured, independent and observed [I > 2(I)] reflections2, 5985
Rint0.046(sin /)max (Å1)0.595 RefinementR[F2 > 2(F2)], wR(F2), S 0.032,
1.06No. of reflections7062No. of parameters559H-atom treatmentH-atom parameters constrainedΔmax, Δmin (e Å3)1.71, 2.05
-->Hydrogen-bond geometry (Å, º)
D—H···AD—HH···AD···AD—H···AC10—H10A···F15i0.932.323.240 (7)171C11—H11C···F6ii0.962.553.375 (7)144C13—H13A···F7i0.932.433.355 (7)175C18—H18A···F5ii0.972.503.282 (6)138C18—H18B···F13ii0.972.453.111 (6)125C21—H21A···F12iii0.932.513.351 (6)150C29—H29B···F17iv0.972.483.125 (7)123C31—H31A···F11iv0.932.433.271 (6)150Symmetry codes:
(i) x+1, y+1/2, z+1/2; (ii) x, y+1, z; (iii) x, y+1/2, z+1/2; (iv) x, y+1, z.
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