Information card for entry 1515558

Structure parameters

• Common name: (THT)AuP(Ph2CCO)3Nb(N[CH2tBu]Ar)3 2.5.THF
• Formula: C95 H118 Au N3 Nb O5.5 P S
• Calculated formula: C95 H118 Au N3 Nb O5.5 P S
• SMILES: [Au]([P]12C(O[Nb](N(c3cc(cc(c3)C)C)CC(C)(C)C)(OC1=C(c1ccccc1)c1ccccc1)(N(c1cc(cc(c1)C)C)CC(C)(C)C)(OC2=C(c1ccccc1)c1ccccc1)N(c1cc(cc(c1)C)C)CC(C)(C)C)=C(c1ccccc1)c1ccccc1)[S]1CCCC1.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: 26.964 ± 0.004 Å
• b: 14.146 ± 0.002 Å
• c: 24.947 ± 0.004 Å
• α: 90°
• β: 116.938 ± 0.002°
• γ: 90°
• Cell volume: 8483 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No