Information card for entry 4071935

Structure parameters

• Formula: C6 H22 B9 Cl Ge S
• Calculated formula: C6 H21 B9 Cl Ge S
• SMILES: [Ge](Cl)([C]123[CH]45[BH]67[BH]89[B]%101([S](C)C)[BH]1%112[BH]234[BH]356[BH]478[BH]9%101[BH]%11234)(C)C
• Title of publication: Silicon(IV) and Germanium(IV) Moieties Stabilized by the Charge-Compensated Carborane Ligand [9-SMe2-7,8-C2B9H10]−: Synthetic and Structural Investigation
• Authors of publication: Meshcheryakov, Vladimir I.; Zheng, Chong; Kudinov, Alexander R.; Maguire, John A.; Hosmane, Narayan S.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5033
• a: 8.8368 ± 0.0008 Å
• b: 12.8117 ± 0.0011 Å
• c: 14.1838 ± 0.0012 Å
• α: 90°
• β: 90.913 ± 0.001°
• γ: 90°
• Cell volume: 1605.6 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No