Information card for entry 7224564

Structure parameters

• Formula: C40 H22 Co N6 O14
• Calculated formula: C40 H22 Co N6 O14
• SMILES: [Co]123(OC(=O)c4c(c5c(cc(cc5N(=O)=O)C(=O)O)C(=O)O1)c(cc(c4)C(=O)O)N(=O)=O)([n]1c4c5[n]2cccc5ccc4ccc1)[n]1c2c4[n]3cccc4ccc2ccc1.O.O
• Title of publication: Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties
• Authors of publication: Li, Quan-Quan; Zhang, Wen-Qian; Ren, Chun-Yan; Fan, Yan-Ping; Li, Jian-Li; Liu, Ping; Wang, Yao-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 3358
• a: 10.059 ± 0.002 Å
• b: 11.605 ± 0.003 Å
• c: 16.86 ± 0.004 Å
• α: 77.458 ± 0.004°
• β: 79.847 ± 0.004°
• γ: 79.381 ± 0.004°
• Cell volume: 1869.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.3123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No