Information card for entry 4516063

Structure parameters

• Formula: C40 H66 N3 Nb O
• Calculated formula: C40 H66 N3 Nb O
• SMILES: [Nb](Oc1c(cccc1C(C)(C)C)C(C)(C)C)(=Nc1c(cccc1C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.
• Authors of publication: Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 6166 - 6181
• a: 12.5502 ± 0.0004 Å
• b: 14.0719 ± 0.0005 Å
• c: 23.5634 ± 0.0009 Å
• α: 89.366 ± 0.003°
• β: 88.443 ± 0.003°
• γ: 75.219 ± 0.003°
• Cell volume: 4022.2 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.1366
• Weighted residual factors for significantly intense reflections: 0.3099
• Weighted residual factors for all reflections included in the refinement: 0.3184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No