Information card for entry 7707761

Structure parameters

• Formula: C9 H26 B9 N
• Calculated formula: C9 H26 B9 N
• 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: 14.5623 ± 0.0013 Å
• b: 14.7789 ± 0.0013 Å
• c: 14.875 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3201.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No