Information card for entry 7002073

Structure parameters

• Formula: C87 H98 B2 Cl2 N8 Rh2
• Calculated formula: C87 H98 B2 Cl2 N8 Rh2
• Title of publication: Pyrazolyl-N-heterocyclic carbene complexes of rhodium as hydrogenation catalysts: The influence of ligand steric bulk on catalyst activity
• Authors of publication: Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7029
• a: 12.3719 ± 0.0002 Å
• b: 14.3921 ± 0.0002 Å
• c: 21.9391 ± 0.0003 Å
• α: 97.527 ± 0.001°
• β: 98.504 ± 0.001°
• γ: 96.085 ± 0.001°
• Cell volume: 3798.74 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No