Information card for entry 4345454

Structure parameters

• Common name: bmkxr52
• Formula: C36 H53 Cl2 N4 Nb O
• Calculated formula: C36 H53 Cl2 N4 Nb O
• SMILES: C1(=CC(C)=[N](c2c(cc(cc2C)C)C)[Nb](N1c1c(cc(cc1C)C)C)(=NC(C)(C)C)([n]1ccccc1)(Cl)Cl)C.CCOCC
• Title of publication: Redox-Initiated Reactivity of Dinuclear β-Diketiminatoniobium Imido Complexes.
• Authors of publication: Kriegel, Benjamin M.; Naested, Lara C. E.; Nocton, Grégory; Lakshmi, K. V.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1626 - 1637
• a: 9.151 ± 0.0005 Å
• b: 11.5419 ± 0.0007 Å
• c: 17.8562 ± 0.001 Å
• α: 87.826 ± 0.001°
• β: 77.694 ± 0.001°
• γ: 84.586 ± 0.001°
• Cell volume: 1834.11 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No