Information card for entry 4516066

Structure parameters

• Formula: C32 H48 F12 N3 Nb O2
• Calculated formula: C32 H48 F12 N3 Nb O2
• SMILES: [Nb](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)(=Nc1c(cccc1C)C)(N=C(C(C)(C)C)C(C)(C)C)[NH]=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: 17.905 ± 0.003 Å
• b: 12.0354 ± 0.0015 Å
• c: 19.691 ± 0.003 Å
• α: 90°
• β: 115.352 ± 0.002°
• γ: 90°
• Cell volume: 3834.6 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No