Information card for entry 7014876

Structure parameters

• Formula: C89 H94 N6 O2 V
• Calculated formula: C89 H94 N6 O2 V
• SMILES: [V]12(OC(=[N]1c1c(c3c(cc1)cccc3)c1c(N(C)C)ccc3c1cccc3)c1c(cc(cc1C)C)C)(OC(=[N]2c1c(c2c(cc1)cccc2)c1c(N(C)C)ccc2c1cccc2)c1c(cc(cc1C)C)C)(N(C)C)N(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• 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: 16.237 ± 0.005 Å
• b: 10.878 ± 0.003 Å
• c: 21.013 ± 0.006 Å
• α: 90°
• β: 98.074 ± 0.006°
• γ: 90°
• Cell volume: 3674.7 ± 1.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No