Information card for entry 1560702

Structure parameters

• Formula: C58 H36 Cu N6 O10
• Calculated formula: C58 H36 Cu N6 O10
• SMILES: [O-]C(=O)c1cc(cc(c1)C(=O)O)Oc1ccc(cc1)c1cc(nc(c1)c1ccncc1)c1cc[n](cc1)[Cu]1(OC(=O)c2cc(Oc3ccc(c4cc(nc(c4)c4ccncc4)c4ccncc4)cc3)cc(c2)C(=O)O)OC(=O)c2cc(cc(c2)C(=O)O)Oc2ccc(cc2)c2cc(nc(c2)c2ccncc2)c2cc[n](cc2)[Cu]OC(=O)c2cc(Oc3ccc(c4cc(nc(c4)c4ccncc4)c4cc[n]1cc4)cc3)cc(c2)C(=O)[O-]
• Title of publication: Design and construction of diverse structures of coordination polymers: Photocatalytic properties
• Authors of publication: Wu, Yu; Lu, Lu; Feng, Jianshen; Li, Yulong; Sun, Yanchun; Ma, Aiqing
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 245
• Pages of publication: 213 - 218
• a: 9.346 ± 0.007 Å
• b: 10.627 ± 0.008 Å
• c: 13.27 ± 0.01 Å
• α: 108.791 ± 0.009°
• β: 93.295 ± 0.009°
• γ: 105.981 ± 0.009°
• Cell volume: 1183.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No