Information card for entry 7707763

Structure parameters

• Formula: C16 H29 B9 Ru
• Calculated formula: C16 H29 B9 Ru
• 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: 18.251 ± 0.004 Å
• b: 14.637 ± 0.003 Å
• c: 16.567 ± 0.003 Å
• α: 90°
• β: 114.006 ± 0.003°
• γ: 90°
• Cell volume: 4042.9 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No