Information card for entry 7054593

Structure parameters

• Formula: C26 H25 Cl2 N5 Ni O9
• Calculated formula: C26 H25 Cl2 N5 Ni O9
• SMILES: [Ni]1234([OH2])[n]5c(cccc5)C[N]1(Cc1[n]2cccc1)Cc1[n]3c2c(ccc3ccc([n]4c23)C)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Hydrogen photogeneration catalyzed by a cobalt complex of a pentadentate aminopyridine-based ligand
• Authors of publication: Song, Xiaowei; Wen, Huimin; Ma, Chengbing; Chen, Hui; Chen, Changneng
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1734
• a: 15.5059 ± 0.0003 Å
• b: 11.4074 ± 0.0002 Å
• c: 16.1421 ± 0.0003 Å
• α: 90°
• β: 100.036 ± 0.0016°
• γ: 90°
• Cell volume: 2811.56 ± 0.09 ų
• Cell temperature: 99.99 ± 0.17 K
• Ambient diffraction temperature: 99.99 ± 0.17 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No