Information card for entry 4067583

Structure parameters

• Formula: C66 H76 F18 N12 O10 P3 Rh4
• Calculated formula: C66 H76 F18 N12 O10 P3 Rh4
• SMILES: C1(=O)[Rh]2345(C(=O)[Rh]6715(C4=O)[n]1c(C[NH]7Cc4[n]6cccc4)cccc1)[n]1c(C[NH]3Cc3[n]2cccc3)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C.C1(=O)[Rh]2345([n]6c(C[NH]3Cc3[n]2cccc3)cccc6)C(=O)[Rh]2315(C4=O)[n]1c(C[NH]3Cc3[n]2cccc3)cccc1.[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C.C(=O)(C)C.C(=O)(C)C
• 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: 30.368 ± 0.008 Å
• b: 30.368 ± 0.008 Å
• c: 9.2873 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8565 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections: 0.2187
• Weighted residual factors for significantly intense reflections: 0.2183
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections: 1.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No