Information card for entry 7109768

Structure parameters

• Formula: C23 H44 N5 Nb
• Calculated formula: C23 H44 N5 Nb
• SMILES: [Nb]1(=Nc2c(cccc2C(C)C)C(C)C)([N](=C1N(C)C)C(C)(C)C)(N(C)C)N(C)C
• Title of publication: Unexpected mild C-N bond cleavage mediated by guanidine coordination to a niobium iminocarbamoyl complex
• Authors of publication: David Elorriaga; Fernando Carrillo-Hermosilla; Antonio Antinolo; Isabel Lopez-Solera; Rafael Fernandez-Galan; Elena Villasenor
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8701
• a: 35.1793 ± 0.0019 Å
• b: 9.443 ± 0.0006 Å
• c: 16.9347 ± 0.0011 Å
• α: 90°
• β: 107.282 ± 0.001°
• γ: 90°
• Cell volume: 5371.7 ± 0.6 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No