Information card for entry 4076901

Structure parameters

• Formula: C39 H89 B12 Er Na3 Si6
• Calculated formula: C39 H89 B12 Er Na3 Si6
• SMILES: [Er]123456789([C]%10%11([Si](C)(C)C)[BH]%121[C]12([Si](C)(C)C)[BH]23[BH]4%10[BH]%11%1212)([C]12([Si](C)(C)C)[BH]35[C]46([Si](C)(C)C)[BH]57[BH]81[BH]2345)[BH]12[BH]39C4([Si](C)(C)C)[BH]5C1([Si](C)(C)C)[BH]2345.[Na+].[Na+].[Na+].c1ccccc1.c1ccccc1.CCCCCC
• Title of publication: Novel Lanthanocene Analogues of “Carbons Apart” Erba- and Dysprosacarboranes: Synthetic and Structural Investigation
• Authors of publication: Wang, Jianhui; Li, Shoujian; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3314
• a: 11.978 ± 0.003 Å
• b: 19.115 ± 0.004 Å
• c: 26.35 ± 0.006 Å
• α: 90°
• β: 92.035 ± 0.004°
• γ: 90°
• Cell volume: 6029 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0774
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.561
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No