Information card for entry 7054594

Structure parameters

• Formula: C26 H25 Cl2 Co N5 O9
• Calculated formula: C26 H25 Cl2 Co N5 O9
• SMILES: [Co]1234([n]5ccccc5C[N]2(Cc2[n]3cccc2)Cc2[n]1c1c(ccc3c1[n]4c(cc3)C)cc2)[OH2].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: 15.5452 ± 0.0002 Å
• b: 11.45475 ± 0.00014 Å
• c: 16.1105 ± 0.0002 Å
• α: 90°
• β: 99.8494 ± 0.0012°
• γ: 90°
• Cell volume: 2826.46 ± 0.06 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No