Information card for entry 7001483

Structure parameters

• Formula: C38 H49 Cl N3 Nb O4
• Calculated formula: C38 H49 Cl N3 Nb O4
• SMILES: [Nb]12(Cl)(=Nc3c(cccc3C(C)C)C(C)C)([N](=C(c3c1c1OCOc1cc3)C)C(C)(C)C)[N](=C(c1c2c2OCOc2cc1)C)C(C)(C)C
• Title of publication: Mono-anionic acetophenone imine ligands: synthesis, ortho-lithiation and first examples of group (v) metal complexes
• Authors of publication: Neshat, Abdollah; Seambos, Cheryl L.; Beck, John F.; Schmidt, Joseph A. R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 4987 - 5000
• a: 17.678 ± 0.001 Å
• b: 11.2151 ± 0.0007 Å
• c: 36.896 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7315 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No