Information card for entry 7002069

Structure parameters

• Formula: C54 H62 B Cl2 N4 Rh
• Calculated formula: C54 H62 B Cl2 N4 Rh
• 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: 13.4959 ± 0.0002 Å
• b: 13.506 ± 0.0002 Å
• c: 14.0357 ± 0.0002 Å
• α: 82.846 ± 0.001°
• β: 70.731 ± 0.001°
• γ: 86.942 ± 0.001°
• Cell volume: 2396.04 ± 0.06 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: 0.049
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No