Information card for entry 1515559

Structure parameters

• Common name: (py)AuP(C[CPh2]O)3Nb(N[Np]Ar)3
• Formula: C96 H115 Au N4 Nb O5.5 P
• Calculated formula: C96 H115 Au N4 Nb O5.5 P
• SMILES: [Au]([P]12C(O[Nb](OC1=C(c1ccccc1)c1ccccc1)(N(CC(C)(C)C)c1cc(cc(c1)C)C)(OC2=C(c1ccccc1)c1ccccc1)(N(c1cc(cc(c1)C)C)CC(C)(C)C)N(CC(C)(C)C)c1cc(cc(c1)C)C)=C(c1ccccc1)c1ccccc1)[n]1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 27.017 ± 0.002 Å
• b: 14.1228 ± 0.0013 Å
• c: 24.657 ± 0.002 Å
• α: 90°
• β: 116.11 ± 0.001°
• γ: 90°
• Cell volume: 8447.9 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No