Information card for entry 1515564

Structure parameters

• Common name: [(Ar[Np]N)3Nb(OC[CPh2])2P][Na(thf)]
• Formula: C74.75 H97 N3 Na Nb O3 P
• Calculated formula: C74.75 H97 N3 Na Nb O3 P
• SMILES: Cc1cc(cc(c1)C)N([Nb]12([O]([Na]3[O]4CCCC4)C(=C(c4ccccc4)c4ccccc4)P2C(=C(c2ccccc2)c2ccccc2)[O]13)(N(c1cc(C)cc(c1)C)CC(C)(C)C)N(c1cc(C)cc(c1)C)CC(C)(C)C)CC(C)(C)C.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: 23.715 ± 0.002 Å
• b: 16.1639 ± 0.0013 Å
• c: 19.4189 ± 0.0016 Å
• α: 90°
• β: 107.002 ± 0.001°
• γ: 90°
• Cell volume: 7118.5 ± 1 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: 0.0659
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No