Information card for entry 7215508

Structure parameters

• Formula: C40 H34 Cu N2 O12
• Calculated formula: C40 H34 Cu N2 O12
• SMILES: [Cu]1([n]2c(c3[n]1cccc3)cccc2)(OC(=O)c1c(OCc2ccc(C(=O)O)cc2)cccc1)(OC(=O)c1ccc(cc1)COc1c(C(=O)O)cccc1)[OH2].O
• Title of publication: Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension
• Authors of publication: Cao, Xinyu; Mu, Bao; Huang, Rudan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 5093
• a: 7.5718 ± 0.0007 Å
• b: 14.0421 ± 0.0019 Å
• c: 17.244 ± 0.002 Å
• α: 74.534 ± 0.001°
• β: 83.804 ± 0.001°
• γ: 88.439 ± 0.002°
• Cell volume: 1756.7 ± 0.4 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: 0.1358
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No