Information card for entry 7002075

Structure parameters

• Formula: C58 H72 B N8 Rh
• Calculated formula: C58 H72 B N8 Rh
• SMILES: [Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)(=C1N(C=CN1Cn1nc(cc1C)C(C)(C)C)C)=C1N(C=CN1Cn1nc(cc1C)C(C)(C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 25.2736 ± 0.0004 Å
• b: 12.7805 ± 0.0002 Å
• c: 31.9609 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10323.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0892
• 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