Information card for entry 4075418

Structure parameters

• Formula: C22 H40 B4 Er O Si2
• Calculated formula: C22 H40 B4 Er O Si2
• SMILES: [Er]12345678([BH]9%10[C]%11([Si](C)(C)C)[C]%12([Si](C)(C)C)[BH]%13[BH]9[BH]%10%11%12%13)([O]9CCCC9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry
• Authors of publication: Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4118
• a: 8.0829 ± 0.0009 Å
• b: 23.889 ± 0.003 Å
• c: 14.8139 ± 0.0015 Å
• α: 90°
• β: 102.081 ± 0.002°
• γ: 90°
• Cell volume: 2797.1 ± 0.5 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: 0.0621
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.386
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No