Information card for entry 1515561

Structure parameters

• Common name: Rh(eta(6)-Ph,eta(2)-Ph'-P(C[CPh2]O)3Nb(N[Np]Ar)3
• Formula: C92.5 H122 N3 Nb O5 P Rh
• Calculated formula: C91.509 H112.036 N3 Nb O4.991 P Rh
• SMILES: [Rh]12345678[P]9%10C(=C([C]%114=[CH]1C=CC=C%11)c1ccccc1)O[Nb](OC%10=C(c1ccccc1)c1ccccc1)(OC9=C([c]12[cH]3[cH]8[cH]5[cH]7[cH]61)c1ccccc1)(N(CC(C)(C)C)c1cc(cc(c1)C)C)(N(CC(C)(C)C)c1cc(cc(c1)C)C)N(CC(C)(C)C)c1cc(cc(c1)C)C.O1CCCC1.O1CCCC1.CCCCC
• Title of publication: A trigonal and hindered tertiary phosphine ligand rendered anionic by a niobate anchor: Formation of zwitterionic M(i) (M = Cu, Ag, Au, Rh) complexes
• Authors of publication: Creutz, Sidney E.; Krummenacher, Ivo; Clough, Christopher R.; Cummins, Christopher C.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 2166
• a: 23.3525 ± 0.0016 Å
• b: 15.0941 ± 0.001 Å
• c: 25.0969 ± 0.0017 Å
• α: 90°
• β: 115.147 ± 0.001°
• γ: 90°
• Cell volume: 8007.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No