Information card for entry 7054774

Structure parameters

• Formula: C42 H58 Cu4 N20 O28
• Calculated formula: C42 H58 Cu4 N20 O28
• SMILES: C12N(C(=O)NC(=O)N=1)[Cu]([n]1c(cc(C)n21)C)(OC(=O)c1c(C(=O)O[Cu]2([OH2])(N3C(=O)NC(=O)N=C3n3[n]2c(cc3C)C)[OH2])cc(C(=O)O[Cu]2(N3C(=NC(=O)NC3=O)n3c(cc(C)[n]23)C)([OH2])[OH2])c(C(=O)O[Cu]2(N3C(=O)NC(=O)N=C3n3[n]2c(cc3C)C)([OH2])[OH2])c1)([OH2])[OH2].O.O.O.O
• Title of publication: Triazine -polycarboxylate acids complexes: synthesis, structure and photocatalytic activity
• Authors of publication: Wang, Zhi Nan; Wang, Xuan; Wei, Si-Yue; Wang, Jixiao; Bai, Feng Ying; Xing, Yong Heng; Sun, Lixian
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 4168 - 4177
• a: 10.075 ± 0.0007 Å
• b: 11.0795 ± 0.0006 Å
• c: 14.6868 ± 0.0009 Å
• α: 68.567 ± 0.005°
• β: 89.823 ± 0.005°
• γ: 73.381 ± 0.005°
• Cell volume: 1452.82 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0726
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No