Information card for entry 7001484

Structure parameters

• Formula: C54 H67 Cl N3 Nb O5
• Calculated formula: C54 H67 Cl N3 Nb O5
• SMILES: [Nb]12(Cl)(=Nc3c(cccc3C)C)([N](=C(c3c1c1OCOc1cc3)C)c1c(cccc1C(C)C)C(C)C)[N](=C(c1c2c2OCOc2cc1)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• 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: 24.0051 ± 0.0008 Å
• b: 18.6894 ± 0.0006 Å
• c: 24.3056 ± 0.0008 Å
• α: 90°
• β: 113.79 ± 0.001°
• γ: 90°
• Cell volume: 9977.9 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No