Information card for entry 4067586

Structure parameters

• Formula: C51 H56 B N4 O4 Rh
• Calculated formula: C51 H56 B N4 O4 Rh
• SMILES: [Rh]1234([n]5c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)cccc5)OC(=O)O4.[B-](c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C.O
• Title of publication: Carbonyl Complexes of Rhodium with N-Donor Ligands: Factors Determining the Formation of Terminal versus Bridging Carbonyls
• Authors of publication: Dzik, Wojciech I.; Creusen, Charlotte; de Gelder, René; Peters, Theo P. J.; Smits, Jan M. M.; de Bruin, Bas
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1629
• a: 9.9552 ± 0.0009 Å
• b: 24.1566 ± 0.0007 Å
• c: 21.377 ± 0.002 Å
• α: 90°
• β: 96.852 ± 0.008°
• γ: 90°
• Cell volume: 5104.1 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.1393
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No