Information card for entry 4516062

Structure parameters

• Formula: C39 H64 Cl2 N3 Nb O
• Calculated formula: C39 H64 Cl2 N3 Nb O
• SMILES: [Nb](Oc1c(cccc1C(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.ClCCl
• 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: 15.469 ± 0.003 Å
• b: 10.6814 ± 0.0019 Å
• c: 24.897 ± 0.004 Å
• α: 90°
• β: 93.169 ± 0.005°
• γ: 90°
• Cell volume: 4107.5 ± 1.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No