Information card for entry 7221791

Structure parameters

• Formula: C50 H36 Cl0 Co N10 O14
• Calculated formula: C50 H36 Co N10 O14
• SMILES: [Co]12([n]3cccc(c3)NC(=O)c3cc(O)cc(c3)C(=O)Nc3cnccc3)([n]3cccc(c3)NC(=O)c3cc(O)cc(c3)C(=O)Nc3cnccc3)([n]3c(C(=O)O1)c(C(=O)O)ccc3)[n]1c(C(=O)O2)c(C(=O)O)ccc1
• Title of publication: Polycarboxylate-directed various Co(ii) complexes based on a “V”-like bis-pyridyl-bis-amide derivative: construction, electrochemical and photocatalytic properties
• Authors of publication: Wang, Xiu-Li; Sha, Xiao-Ting; Liu, Guo-Cheng; Chen, Nai-Li; Tian, Yuan
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 38
• Pages of publication: 7290
• a: 8.658 ± 0.0006 Å
• b: 10.2661 ± 0.0007 Å
• c: 13.9044 ± 0.0009 Å
• α: 76.212 ± 0.001°
• β: 72.962 ± 0.001°
• γ: 72.097 ± 0.001°
• Cell volume: 1109.39 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No