Information card for entry 4075419

Structure parameters

• Formula: C24 H46 B4 Gd O2 Si2
• Calculated formula: C24 H46 B4 Gd O2 Si2
• SMILES: [Gd]12345678([BH]9%10[BH]%11[C]%12([Si](C)(C)C)[C]%13([Si](C)(C)C)[BH]19[BH]%10%11%12%13)([CH]1=[CH]2[CH]3=[CH]4[CH]5=[CH]6[CH]7=[CH]81)([O]1CCCC1)[O]1CCCC1
• 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: 8.4527 ± 0.0019 Å
• b: 10.699 ± 0.002 Å
• c: 17.467 ± 0.004 Å
• α: 80.29 ± 0.003°
• β: 77.221 ± 0.004°
• γ: 87.107 ± 0.004°
• Cell volume: 1518.3 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.536
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No