Information card for entry 7055294

Structure parameters

• Formula: C30 H24 Cl2 N8 Ni
• Calculated formula: C30 H24 Cl2 N8 Ni
• SMILES: c1c2c(cccc2)n2[n]1[Ni]1([n]3n(c4ccccc4c3)C2)(Cl)([n]2cc3ccccc3n2Cn2[n]1cc1ccccc21)Cl
• Title of publication: Group 9 and 10 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane ligands: synthesis and structural characterization
• Authors of publication: Santos, Carina; Gómez, Margarita; Álvarez, Eleuterio; Ngoune, Jean; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5695
• a: 8.933 ± 0.002 Å
• b: 10.599 ± 0.002 Å
• c: 14.768 ± 0.003 Å
• α: 90°
• β: 96.79 ± 0.011°
• γ: 90°
• Cell volume: 1388.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No