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The title compound, [Hg(C7H5O2)(C12H27O3SSi)], was obtained by the reaction of 4-hydroxy­mercurio­benzoic acid with tri-tert-butoxy­silane­thiol. There are two independent mol­ecules in the asymmetric unit, which are linked by hydrogen bonds involving the carboxyl­ic acid groups. Two heterocubane-like Hg4S4 supramolecular arrangements are formed by weak Hg...S interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803004045/su6014sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803004045/su6014Isup2.hkl
Contains datablock I

CCDC reference: 206744

Key indicators

  • Single-crystal X-ray study
  • T = 200 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.031
  • wR factor = 0.057
  • Data-to-parameter ratio = 18.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
WEIGH_01 Alert C Extra text has been found in the _refine_ls_weighting_scheme field. This should be in the _refine_ls_weighting_details field. Weighting scheme given as calc w = 1/[\s^2^(Fo^2^)+(0.0222P)^2^] wher Weighting scheme identified as calc PLAT_601 Alert C Structure Contains Solvent Accessible VOIDS of 37.00 A   3
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
2 Alert Level C = Please check

Computing details top

Data collection: IPDS (Stoe & Cie, 1997); cell refinement: IPDS; data reduction: X-RED (Stoe & Cie, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: RESVIEW (Schwenck, 1998) and Mercury (CCDC, 2002); software used to prepare material for publication: SHELXL97.

4-(Tri-tert-butoxysilylthiomercurio)benzoic acid top
Crystal data top
[Hg(C7H5O2)(C12H27O3SSi)]Dx = 1.603 Mg m3
Mr = 601.19Mo Kα radiation, λ = 0.71073 Å
Tetragonal, I41/aCell parameters from 8000 reflections
Hall symbol: -I 4adθ = 1.5–25°
a = 22.5989 (13) ŵ = 6.33 mm1
c = 39.015 (3) ÅT = 200 K
V = 19926 (2) Å3Plate, colourless
Z = 320.60 × 0.30 × 0.25 mm
F(000) = 9472
Data collection top
Stoe IPDS
diffractometer
9345 independent reflections
Radiation source: fine-focus sealed tube5930 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.052
φ oscillation scansθmax = 25.9°, θmin = 2.1°
Absorption correction: numerical
(X-RED; Stoe & Cie, 1997)
h = 2720
Tmin = 0.090, Tmax = 0.293k = 2527
21819 measured reflectionsl = 2647
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.057H-atom parameters constrained
S = 0.83Calculated w = 1/[σ2(Fo2) + (0.0222P)2]
where P = (Fo2 + 2Fc2)/3
9345 reflections(Δ/σ)max = 0.002
511 parametersΔρmax = 1.31 e Å3
2 restraintsΔρmin = 0.87 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'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 > σ(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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Hg10.594864 (9)0.750241 (10)0.087787 (5)0.03250 (6)
S10.60877 (6)0.75462 (7)0.14790 (3)0.0381 (4)
Si10.70246 (7)0.75658 (7)0.14612 (4)0.0311 (3)
O10.72985 (16)0.69532 (16)0.16025 (9)0.0393 (9)
C10.7426 (3)0.6733 (2)0.19420 (14)0.0357 (13)
C20.7315 (4)0.6070 (3)0.19221 (19)0.075 (2)
H2A0.69070.59980.18480.113*
H2B0.73780.58930.21480.113*
H2C0.75890.58930.17570.113*
C30.8069 (3)0.6869 (3)0.20202 (17)0.064 (2)
H3A0.83210.66990.18410.096*
H3B0.81760.66970.22420.096*
H3C0.81270.72990.20280.096*
C40.7014 (3)0.7015 (3)0.22060 (14)0.0431 (15)
H4A0.70670.74450.22040.065*
H4B0.71080.68610.24340.065*
H4C0.66030.69200.21490.065*
O20.72924 (17)0.80914 (16)0.16933 (10)0.0428 (10)
C50.7247 (3)0.8731 (3)0.16981 (15)0.0444 (15)
C60.7016 (4)0.8967 (3)0.13588 (19)0.078 (2)
H6A0.72890.88550.11740.116*
H6B0.69870.93990.13700.116*
H6C0.66250.87980.13130.116*
C70.6851 (3)0.8894 (3)0.19838 (19)0.068 (2)
H7A0.64450.87740.19290.102*
H7B0.68640.93230.20190.102*
H7C0.69800.86930.21930.102*
C80.7876 (3)0.8949 (3)0.1772 (3)0.087 (3)
H8A0.80310.87460.19750.131*
H8B0.78700.93760.18130.131*
H8C0.81310.88630.15750.131*
O30.71820 (16)0.76226 (18)0.10562 (9)0.0433 (10)
C90.7715 (2)0.7479 (3)0.08589 (15)0.0438 (14)
C100.7657 (3)0.6849 (3)0.0741 (2)0.075 (2)
H10A0.76420.65860.09400.113*
H10B0.79990.67440.05980.113*
H10C0.72930.68050.06060.113*
C110.7702 (3)0.7905 (3)0.05556 (15)0.0562 (18)
H11A0.73260.78630.04330.084*
H11B0.80300.78130.04000.084*
H11C0.77430.83120.06390.084*
C120.8264 (3)0.7575 (4)0.1074 (2)0.085 (3)
H12A0.82830.79900.11470.128*
H12B0.86160.74800.09380.128*
H12C0.82500.73180.12760.128*
C130.5880 (2)0.7506 (2)0.03466 (11)0.0290 (12)
C140.6105 (2)0.7986 (2)0.01675 (13)0.0340 (13)
H140.62840.83010.02910.041*
C150.6075 (2)0.8019 (2)0.01857 (13)0.0336 (13)
H150.62210.83590.03010.040*
C160.5832 (2)0.7557 (2)0.03716 (12)0.0273 (12)
C170.5605 (2)0.7075 (2)0.01970 (13)0.0289 (12)
H170.54310.67570.03210.035*
C180.5630 (2)0.7053 (2)0.01582 (13)0.0288 (12)
H180.54730.67190.02740.035*
C190.5820 (2)0.7577 (2)0.07511 (13)0.0329 (13)
O40.6000 (2)0.8056 (2)0.08868 (10)0.0571 (12)
H4D0.605 (3)0.806 (3)0.1091 (6)0.069*
O50.56481 (19)0.71348 (17)0.09235 (9)0.0474 (10)
Hg20.943631 (10)0.332832 (10)0.085467 (5)0.03750 (6)
S20.92374 (8)0.33250 (7)0.14461 (4)0.0479 (4)
Si20.89030 (7)0.42009 (7)0.14750 (4)0.0336 (4)
O60.83281 (18)0.42371 (18)0.17110 (11)0.0528 (11)
C200.7758 (3)0.3918 (3)0.1727 (2)0.060 (2)
C210.7597 (4)0.3650 (4)0.1390 (3)0.103 (3)
H21A0.75610.39620.12170.155*
H21B0.72190.34410.14120.155*
H21C0.79050.33700.13210.155*
C220.7848 (3)0.3444 (3)0.1997 (2)0.078 (2)
H22A0.81580.31700.19220.116*
H22B0.74770.32260.20310.116*
H22C0.79660.36290.22140.116*
C230.7330 (4)0.4386 (4)0.1851 (3)0.114 (4)
H23A0.74630.45390.20730.170*
H23B0.69350.42120.18760.170*
H23C0.73140.47100.16850.170*
O70.88187 (19)0.43994 (17)0.10798 (10)0.0483 (11)
C240.8760 (3)0.4977 (3)0.09173 (17)0.0519 (17)
C250.9362 (4)0.5179 (4)0.0815 (3)0.104 (3)
H25A0.96140.52080.10190.155*
H25B0.93350.55670.07040.155*
H25C0.95350.48940.06540.155*
C260.8380 (4)0.4868 (4)0.0607 (2)0.101 (3)
H26A0.85800.45870.04550.151*
H26B0.83140.52410.04860.151*
H26C0.79990.47030.06790.151*
C270.8470 (4)0.5424 (4)0.1150 (2)0.106 (3)
H27A0.80700.52900.12080.159*
H27B0.84480.58070.10320.159*
H27C0.87040.54650.13600.159*
O80.93869 (19)0.46480 (18)0.16389 (11)0.0540 (11)
C280.9559 (3)0.4781 (3)0.19892 (17)0.0535 (18)
C291.0218 (3)0.4948 (4)0.1957 (2)0.080 (2)
H29A1.02590.52880.18030.120*
H29B1.04390.46110.18640.120*
H29C1.03750.50500.21830.120*
C300.9506 (3)0.4241 (3)0.22158 (18)0.069 (2)
H30A0.96710.43290.24420.103*
H30B0.97250.39110.21120.103*
H30C0.90890.41320.22390.103*
C310.9197 (4)0.5293 (3)0.2122 (2)0.074 (2)
H31A0.92640.56410.19780.111*
H31B0.93160.53830.23580.111*
H31C0.87770.51880.21180.111*
C320.9571 (3)0.3347 (2)0.03273 (13)0.0376 (14)
C330.9114 (3)0.3465 (3)0.01045 (14)0.0409 (14)
H330.87310.35440.01930.049*
C340.9204 (3)0.3471 (3)0.02487 (14)0.0400 (14)
H340.88820.35510.03980.048*
C350.9761 (2)0.3362 (2)0.03848 (12)0.0287 (12)
C361.0226 (2)0.3246 (3)0.01616 (13)0.0373 (14)
H361.06110.31700.02500.045*
C371.0129 (2)0.3241 (3)0.01916 (13)0.0389 (14)
H371.04510.31640.03420.047*
C380.9829 (3)0.3361 (2)0.07621 (13)0.0345 (13)
O90.94086 (18)0.3546 (2)0.09452 (9)0.0520 (11)
O101.03189 (18)0.31802 (19)0.08845 (10)0.0472 (10)
H10D1.036 (3)0.322 (3)0.1084 (6)0.057*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Hg10.03400 (13)0.04860 (14)0.01492 (9)0.00315 (10)0.00058 (9)0.00133 (9)
S10.0326 (8)0.0663 (11)0.0155 (6)0.0009 (7)0.0002 (5)0.0021 (6)
Si10.0319 (9)0.0406 (9)0.0208 (7)0.0016 (7)0.0010 (6)0.0030 (6)
O10.050 (2)0.044 (2)0.0235 (19)0.0041 (18)0.0077 (18)0.0012 (17)
C10.050 (4)0.028 (3)0.028 (3)0.004 (3)0.008 (3)0.005 (2)
C20.121 (7)0.049 (5)0.055 (5)0.001 (4)0.004 (4)0.000 (4)
C30.048 (4)0.104 (6)0.040 (4)0.006 (4)0.015 (3)0.008 (4)
C40.047 (4)0.057 (4)0.025 (3)0.002 (3)0.003 (3)0.002 (3)
O20.055 (3)0.034 (2)0.040 (2)0.0046 (18)0.0143 (19)0.0072 (18)
C50.056 (4)0.037 (4)0.040 (4)0.004 (3)0.004 (3)0.008 (3)
C60.126 (8)0.053 (5)0.053 (5)0.007 (4)0.007 (4)0.016 (4)
C70.079 (6)0.062 (5)0.063 (5)0.002 (4)0.008 (4)0.000 (4)
C80.062 (5)0.052 (5)0.148 (9)0.021 (4)0.005 (5)0.002 (5)
O30.033 (2)0.072 (3)0.025 (2)0.0023 (19)0.0062 (16)0.0054 (18)
C90.035 (3)0.064 (4)0.032 (3)0.003 (3)0.007 (3)0.001 (3)
C100.081 (6)0.067 (5)0.077 (6)0.013 (4)0.029 (4)0.009 (4)
C110.065 (5)0.071 (5)0.033 (4)0.001 (4)0.025 (3)0.008 (3)
C120.035 (4)0.162 (9)0.059 (5)0.004 (5)0.008 (4)0.000 (5)
C130.031 (3)0.043 (3)0.013 (2)0.007 (2)0.002 (2)0.002 (2)
C140.034 (3)0.044 (4)0.024 (3)0.004 (2)0.004 (2)0.007 (2)
C150.052 (4)0.026 (3)0.023 (3)0.004 (2)0.002 (2)0.006 (2)
C160.030 (3)0.033 (3)0.018 (2)0.008 (2)0.003 (2)0.002 (2)
C170.026 (3)0.036 (3)0.025 (3)0.005 (2)0.002 (2)0.005 (2)
C180.029 (3)0.035 (3)0.023 (3)0.003 (2)0.001 (2)0.002 (2)
C190.038 (3)0.035 (3)0.026 (3)0.007 (3)0.003 (2)0.002 (3)
O40.087 (3)0.066 (3)0.018 (2)0.018 (2)0.007 (2)0.009 (2)
O50.077 (3)0.046 (3)0.019 (2)0.002 (2)0.0071 (19)0.0066 (18)
Hg20.05162 (15)0.04519 (14)0.01569 (9)0.00499 (10)0.00202 (10)0.00142 (9)
S20.0809 (12)0.0435 (10)0.0192 (7)0.0156 (8)0.0086 (7)0.0042 (6)
Si20.0398 (10)0.0321 (9)0.0289 (8)0.0036 (7)0.0023 (7)0.0001 (6)
O60.049 (3)0.052 (3)0.058 (3)0.002 (2)0.013 (2)0.004 (2)
C200.040 (4)0.054 (4)0.085 (6)0.003 (3)0.014 (4)0.018 (4)
C210.076 (7)0.132 (9)0.102 (8)0.036 (6)0.030 (5)0.016 (6)
C220.078 (6)0.060 (5)0.095 (7)0.003 (4)0.012 (5)0.024 (4)
C230.065 (6)0.075 (6)0.200 (12)0.018 (5)0.050 (6)0.023 (6)
O70.072 (3)0.039 (3)0.034 (2)0.005 (2)0.001 (2)0.0093 (18)
C240.062 (5)0.049 (4)0.044 (4)0.002 (3)0.001 (3)0.017 (3)
C250.086 (7)0.081 (7)0.143 (10)0.020 (5)0.012 (6)0.034 (6)
C260.119 (8)0.098 (7)0.084 (7)0.022 (6)0.026 (6)0.026 (5)
C270.161 (10)0.068 (6)0.090 (7)0.062 (6)0.017 (6)0.012 (5)
O80.068 (3)0.053 (3)0.040 (2)0.013 (2)0.005 (2)0.002 (2)
C280.077 (5)0.041 (4)0.042 (4)0.011 (3)0.019 (3)0.013 (3)
C290.083 (6)0.080 (6)0.076 (6)0.023 (5)0.019 (4)0.014 (4)
C300.092 (6)0.062 (5)0.052 (5)0.011 (4)0.019 (4)0.000 (4)
C310.090 (6)0.060 (5)0.073 (6)0.009 (4)0.001 (4)0.020 (4)
C320.048 (4)0.044 (4)0.021 (3)0.001 (3)0.005 (3)0.002 (2)
C330.037 (3)0.061 (4)0.025 (3)0.003 (3)0.003 (3)0.000 (3)
C340.043 (4)0.050 (4)0.027 (3)0.003 (3)0.008 (3)0.007 (3)
C350.037 (3)0.031 (3)0.017 (2)0.007 (2)0.000 (2)0.001 (2)
C360.033 (3)0.057 (4)0.022 (3)0.000 (3)0.000 (2)0.002 (3)
C370.038 (4)0.064 (4)0.016 (3)0.003 (3)0.010 (2)0.000 (2)
C380.043 (4)0.041 (3)0.020 (3)0.009 (3)0.001 (2)0.003 (2)
O90.051 (3)0.087 (3)0.019 (2)0.013 (2)0.0025 (18)0.0066 (19)
O100.049 (3)0.076 (3)0.0176 (19)0.004 (2)0.006 (2)0.000 (2)
Geometric parameters (Å, º) top
Hg1—S1i3.2465 (15)C19—O41.272 (7)
Hg1—S1ii3.3737 (15)O4—H4D0.81 (2)
Hg2—S2iii3.2365 (16)Hg2—C322.080 (5)
Hg2—S2iv3.7255 (18)Hg2—S22.3508 (14)
Hg1—C132.078 (5)S2—Si22.122 (2)
Hg1—S12.3685 (13)Si2—O61.595 (4)
S1—Si12.119 (2)Si2—O71.617 (4)
Si1—O21.611 (4)Si2—O81.620 (4)
Si1—O11.614 (4)O6—C201.478 (7)
Si1—O31.625 (4)C20—C211.492 (11)
O1—C11.444 (6)C20—C231.513 (10)
C1—C31.517 (8)C20—C221.518 (9)
C1—C21.520 (8)C21—H21A0.9800
C1—C41.528 (8)C21—H21B0.9800
C2—H2A0.9800C21—H21C0.9800
C2—H2B0.9800C22—H22A0.9800
C2—H2C0.9800C22—H22B0.9800
C3—H3A0.9800C22—H22C0.9800
C3—H3B0.9800C23—H23A0.9800
C3—H3C0.9800C23—H23B0.9800
C4—H4A0.9800C23—H23C0.9800
C4—H4B0.9800O7—C241.458 (7)
C4—H4C0.9800C24—C251.491 (10)
O2—C51.449 (6)C24—C261.503 (10)
C5—C71.477 (9)C24—C271.505 (10)
C5—C61.519 (9)C25—H25A0.9800
C5—C81.531 (9)C25—H25B0.9800
C6—H6A0.9800C25—H25C0.9800
C6—H6B0.9800C26—H26A0.9800
C6—H6C0.9800C26—H26B0.9800
C7—H7A0.9800C26—H26C0.9800
C7—H7B0.9800C27—H27A0.9800
C7—H7C0.9800C27—H27B0.9800
C8—H8A0.9800C27—H27C0.9800
C8—H8B0.9800O8—C281.453 (7)
C8—H8C0.9800C28—C311.509 (9)
O3—C91.466 (6)C28—C301.513 (9)
C9—C101.504 (9)C28—C291.540 (9)
C9—C121.513 (9)C29—H29A0.9800
C9—C111.525 (8)C29—H29B0.9800
C10—H10A0.9800C29—H29C0.9800
C10—H10B0.9800C30—H30A0.9800
C10—H10C0.9800C30—H30B0.9800
C11—H11A0.9800C30—H30C0.9800
C11—H11B0.9800C31—H31A0.9800
C11—H11C0.9800C31—H31B0.9800
C12—H12A0.9800C31—H31C0.9800
C12—H12B0.9800C32—C331.375 (8)
C12—H12C0.9800C32—C371.389 (7)
C13—C181.381 (7)C33—C341.393 (7)
C13—C141.387 (7)C33—H330.9500
C14—C151.382 (7)C34—C351.388 (7)
C14—H140.9500C34—H340.9500
C15—C161.385 (7)C35—C361.390 (7)
C15—H150.9500C35—C381.480 (7)
C16—C171.384 (7)C36—C371.395 (7)
C16—C191.482 (7)C36—H360.9500
C17—C181.388 (7)C37—H370.9500
C17—H170.9500C38—O91.260 (6)
C18—H180.9500C38—O101.272 (7)
C19—O51.266 (6)O10—H10D0.79 (2)
C13—Hg1—S1175.74 (15)C32—Hg2—S2177.22 (17)
Si1—S1—Hg195.80 (6)Si2—S2—Hg296.74 (7)
O2—Si1—O1107.2 (2)O6—Si2—O7116.1 (2)
O2—Si1—O3114.0 (2)O6—Si2—O8106.9 (2)
O1—Si1—O3108.4 (2)O7—Si2—O8106.4 (2)
O2—Si1—S1111.86 (17)O6—Si2—S2111.64 (17)
O1—Si1—S1110.75 (16)O7—Si2—S2104.48 (16)
O3—Si1—S1104.62 (15)O8—Si2—S2111.25 (18)
C1—O1—Si1133.3 (3)C20—O6—Si2135.2 (4)
O1—C1—C3107.8 (4)O6—C20—C21112.0 (6)
O1—C1—C2105.1 (4)O6—C20—C23103.3 (6)
C3—C1—C2111.6 (6)C21—C20—C23114.2 (8)
O1—C1—C4110.7 (4)O6—C20—C22104.9 (5)
C3—C1—C4111.3 (5)C21—C20—C22110.9 (7)
C2—C1—C4110.2 (5)C23—C20—C22110.9 (7)
C1—C2—H2A109.5C20—C21—H21A109.5
C1—C2—H2B109.5C20—C21—H21B109.5
H2A—C2—H2B109.5H21A—C21—H21B109.5
C1—C2—H2C109.5C20—C21—H21C109.5
H2A—C2—H2C109.5H21A—C21—H21C109.5
H2B—C2—H2C109.5H21B—C21—H21C109.5
C1—C3—H3A109.5C20—C22—H22A109.5
C1—C3—H3B109.5C20—C22—H22B109.5
H3A—C3—H3B109.5H22A—C22—H22B109.5
C1—C3—H3C109.5C20—C22—H22C109.5
H3A—C3—H3C109.5H22A—C22—H22C109.5
H3B—C3—H3C109.5H22B—C22—H22C109.5
C1—C4—H4A109.5C20—C23—H23A109.5
C1—C4—H4B109.5C20—C23—H23B109.5
H4A—C4—H4B109.5H23A—C23—H23B109.5
C1—C4—H4C109.5C20—C23—H23C109.5
H4A—C4—H4C109.5H23A—C23—H23C109.5
H4B—C4—H4C109.5H23B—C23—H23C109.5
C5—O2—Si1135.7 (3)C24—O7—Si2132.4 (4)
O2—C5—C7107.5 (5)O7—C24—C25107.8 (5)
O2—C5—C6111.3 (5)O7—C24—C26104.7 (6)
C7—C5—C6111.2 (6)C25—C24—C26110.9 (7)
O2—C5—C8104.9 (5)O7—C24—C27112.2 (6)
C7—C5—C8109.9 (6)C25—C24—C27110.7 (7)
C6—C5—C8111.7 (6)C26—C24—C27110.3 (7)
C5—C6—H6A109.5C24—C25—H25A109.5
C5—C6—H6B109.5C24—C25—H25B109.5
H6A—C6—H6B109.5H25A—C25—H25B109.5
C5—C6—H6C109.5C24—C25—H25C109.5
H6A—C6—H6C109.5H25A—C25—H25C109.5
H6B—C6—H6C109.5H25B—C25—H25C109.5
C5—C7—H7A109.5C24—C26—H26A109.5
C5—C7—H7B109.5C24—C26—H26B109.5
H7A—C7—H7B109.5H26A—C26—H26B109.5
C5—C7—H7C109.5C24—C26—H26C109.5
H7A—C7—H7C109.5H26A—C26—H26C109.5
H7B—C7—H7C109.5H26B—C26—H26C109.5
C5—C8—H8A109.5C24—C27—H27A109.5
C5—C8—H8B109.5C24—C27—H27B109.5
H8A—C8—H8B109.5H27A—C27—H27B109.5
C5—C8—H8C109.5C24—C27—H27C109.5
H8A—C8—H8C109.5H27A—C27—H27C109.5
H8B—C8—H8C109.5H27B—C27—H27C109.5
C9—O3—Si1132.3 (4)C28—O8—Si2133.0 (4)
O3—C9—C10107.4 (5)O8—C28—C31109.7 (6)
O3—C9—C12110.6 (5)O8—C28—C30111.2 (5)
C10—C9—C12112.2 (6)C31—C28—C30112.0 (7)
O3—C9—C11104.6 (5)O8—C28—C29103.5 (5)
C10—C9—C11110.9 (6)C31—C28—C29111.4 (6)
C12—C9—C11110.8 (6)C30—C28—C29108.7 (6)
C9—C10—H10A109.5C28—C29—H29A109.5
C9—C10—H10B109.5C28—C29—H29B109.5
H10A—C10—H10B109.5H29A—C29—H29B109.5
C9—C10—H10C109.5C28—C29—H29C109.5
H10A—C10—H10C109.5H29A—C29—H29C109.5
H10B—C10—H10C109.5H29B—C29—H29C109.5
C9—C11—H11A109.5C28—C30—H30A109.5
C9—C11—H11B109.5C28—C30—H30B109.5
H11A—C11—H11B109.5H30A—C30—H30B109.5
C9—C11—H11C109.5C28—C30—H30C109.5
H11A—C11—H11C109.5H30A—C30—H30C109.5
H11B—C11—H11C109.5H30B—C30—H30C109.5
C9—C12—H12A109.5C28—C31—H31A109.5
C9—C12—H12B109.5C28—C31—H31B109.5
H12A—C12—H12B109.5H31A—C31—H31B109.5
C9—C12—H12C109.5C28—C31—H31C109.5
H12A—C12—H12C109.5H31A—C31—H31C109.5
H12B—C12—H12C109.5H31B—C31—H31C109.5
C18—C13—C14117.5 (5)C33—C32—C37118.3 (5)
C18—C13—Hg1123.9 (4)C33—C32—Hg2121.3 (4)
C14—C13—Hg1118.6 (4)C37—C32—Hg2120.4 (4)
C15—C14—C13121.8 (5)C32—C33—C34121.2 (5)
C15—C14—H14119.1C32—C33—H33119.4
C13—C14—H14119.1C34—C33—H33119.4
C14—C15—C16120.1 (5)C35—C34—C33120.6 (5)
C14—C15—H15120.0C35—C34—H34119.7
C16—C15—H15120.0C33—C34—H34119.7
C17—C16—C15118.9 (5)C34—C35—C36118.7 (5)
C17—C16—C19120.6 (5)C34—C35—C38118.4 (5)
C15—C16—C19120.5 (5)C36—C35—C38123.0 (5)
C16—C17—C18120.3 (5)C35—C36—C37120.1 (5)
C16—C17—H17119.9C35—C36—H36120.0
C18—C17—H17119.9C37—C36—H36120.0
C13—C18—C17121.5 (5)C32—C37—C36121.2 (5)
C13—C18—H18119.3C32—C37—H37119.4
C17—C18—H18119.3C36—C37—H37119.4
O5—C19—O4123.3 (5)O9—C38—O10123.3 (5)
O5—C19—C16120.8 (5)O9—C38—C35119.0 (5)
O4—C19—C16115.9 (5)O10—C38—C35117.7 (5)
C19—O4—H4D118 (5)C38—O10—H10D116 (5)
Symmetry codes: (i) y1/4, x+5/4, z+1/4; (ii) y+5/4, x+1/4, z+1/4; (iii) y+3/4, x+5/4, z+1/4; (iv) y+5/4, x3/4, z+1/4.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O4—H4D···O9v0.81 (2)1.81 (2)2.610 (5)171 (7)
O10—H10D···O5vi0.79 (2)1.93 (2)2.703 (5)167 (6)
Symmetry codes: (v) y+1/4, x+7/4, z1/4; (vi) y+7/4, x1/4, z1/4.
 

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