Information card for entry 7014878

Structure parameters

• Formula: C56 H69 N6 Nb O2
• Calculated formula: C56 H69 N6 Nb O2
• SMILES: [Nb]123(OC(=[N]1c1c(c(ccc1)C)c1c(N(C)C)cccc1C)c1c(cc(cc1C)C)C)(OC(=[N]2c1c(c(ccc1)C)c1c(N(C)C)cccc1C)c1c(cc(cc1C)C)C)(N(C3)C)N(C)C
• Title of publication: Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.
• Authors of publication: Zhang, Furen; Song, Haibin; Zi, Guofu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1547 - 1566
• a: 13.1691 ± 0.0003 Å
• b: 13.4302 ± 0.0004 Å
• c: 32.5935 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5764.6 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No