Information card for entry 7113961

Structure parameters

• Formula: C23 H33 Cl3 Co N5 O6
• Calculated formula: C23 H30 Cl3 Co N5 O6
• SMILES: [Co]1234(Cl)[N](Cc5[n]1cccc5)(Cc1[n]2cccc1)C(c1[n]3cccc1)c1[n]4cccc1.[Cl-].[Cl-].O.O.O.O.O.O
• Title of publication: An unexpected role of the monodentate ligand in photocatalytic hydrogen production of the pentadentate ligand-based cobalt complexes
• Authors of publication: Jingfan Xie; Qianxiong Zhou; Chao Li; Weibo Wang; Yuanjun Hou; Baowen Zhang; Xuesong Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6520
• a: 9.173 ± 0.004 Å
• b: 13.175 ± 0.005 Å
• c: 23.399 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2828 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No