Information card for entry 7707759

Structure parameters

• Formula: C6 H16 B10
• Calculated formula: C6 H16 B10
• SMILES: [C]12345[C]678(C(=CC1)C)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132
• Title of publication: Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.
• Authors of publication: Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 30
• Pages of publication: 10615 - 10620
• a: 7.132 ± 0.0013 Å
• b: 7.9809 ± 0.0014 Å
• c: 11.866 ± 0.002 Å
• α: 75.051 ± 0.003°
• β: 86.238 ± 0.003°
• γ: 69.071 ± 0.003°
• Cell volume: 609.24 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2358
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No