Information card for entry 1515563

Structure parameters

• Common name: [Na(thf)6][(Ar[Np]N)3Nb(OC[CPh2])3P]
• Formula: C105 H138 N3 Na Nb O9 P
• Calculated formula: C105 H138 N3 Na Nb O9 P
• SMILES: C1(=C(c2ccccc2)c2ccccc2)O[Nb]2(N(c3cc(C)cc(c3)C)CC(C)(C)C)(N(c3cc(cc(c3)C)C)CC(C)(C)C)(N(c3cc(cc(c3)C)C)CC(C)(C)C)OC(=C(c3ccccc3)c3ccccc3)P1C(=C(c1ccccc1)c1ccccc1)O2.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 17.736 ± 0.002 Å
• b: 17.736 ± 0.002 Å
• c: 51.913 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14142 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No