Information card for entry 7014875

Structure parameters

• Formula: C55 H64 N5 Nb O2
• Calculated formula: C55 H64 N5 Nb O2
• SMILES: [Nb]123(Oc4c(C([N]1(C)C)N(C)C)cccc4C(C)(C)C)(Oc1c(C=[N]3c3c(c4c(N=2)ccc2c4cccc2)c2ccccc2cc3)cccc1C(C)(C)C)N(C)C.c1cc(ccc1)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: 9.55 ± 0.001 Å
• b: 10.9436 ± 0.0012 Å
• c: 11.4253 ± 0.0014 Å
• α: 97.974 ± 0.006°
• β: 93.029 ± 0.014°
• γ: 99.572 ± 0.009°
• Cell volume: 1162.5 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No