Information card for entry 4516061

Structure parameters

• Formula: C30 H32 Cl2 N Nb O3
• Calculated formula: C30 H32 Cl2 N Nb O3
• SMILES: [Nb]1(Cl)(Cl)(Oc2c(cccc2c2ccccc2)c2ccccc2)([O](C)CC[O]1C)=Nc1c(cccc1C)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: 9.9108 ± 0.0003 Å
• b: 12.5655 ± 0.0005 Å
• c: 13.0149 ± 0.0005 Å
• α: 95.967 ± 0.003°
• β: 101.025 ± 0.003°
• γ: 106.341 ± 0.003°
• Cell volume: 1505.05 ± 0.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No