Information card for entry 7040066

Structure parameters

• Common name: (BDI)CpClNb(NtBu)
• Formula: C38 H55 Cl N3 Nb
• Calculated formula: C38 H55 Cl N3 Nb
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Nb]2345(=NC(C)(C)C)(N(c1c(cccc1C(C)C)C(C)C)/C(=C/C(=N/c1c(cccc1C(C)C)C(C)C)C)C)Cl
• Title of publication: Unusual κ1 coordination of a β-diketiminate ligand in niobium complexes.
• Authors of publication: Ziegler, Jessica A.; Bergman, Robert G.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12661 - 12668
• a: 17.812 ± 0.005 Å
• b: 17.474 ± 0.005 Å
• c: 23.717 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7382 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No