Information card for entry 4077128

Structure parameters

• Formula: C24 H60 B8 Er K O2 Si4
• Calculated formula: C24 H60 B8 Er K O2 Si4
• SMILES: [Er]12345678([C]9%10([Si](C)(C)C)[BH]%111[C]12([Si](C)(C)C)[BH]23[BH]49[BH]%10%1112)[C]12([Si](C)(C)C)[BH]35[C]46([Si](C)(C)C)[BH]57[BH]81[BH]2345.[K]([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Crystal Structure of a “Carbons Apart” Erbacarborane Sandwich: An Example of Novel, One-Pot, Two-Electron Reductive Cage Opening with Concomitant Metalation of the C2B4Carborane Ligand
• 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: 24
• Pages of publication: 5149
• a: 11.5566 ± 0.0018 Å
• b: 12.587 ± 0.002 Å
• c: 14.955 ± 0.002 Å
• α: 105.006 ± 0.002°
• β: 92.473 ± 0.003°
• γ: 106.286 ± 0.003°
• Cell volume: 2001.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No