Information card for entry 7035800

Structure parameters

• Formula: C74 H48 Co2 N8 O20
• Calculated formula: C74 H48 Co2 N8 O20
• SMILES: C1(c2c(c(cc(c2)C(=O)O)C(=O)O)c2cc(cc(c2)C(=O)[O-])C(=O)O)=[O][Co]23([n]4ccccc4c4[n]2cccc4)([n]2ccccc2c2[n]3cccc2)OC(c2cc(C(=O)O)cc(c2c2cc(cc(c2)C(=O)[O-])C(=O)O)C(=O)O)=[O][Co]23([n]4ccccc4c4[n]2cccc4)([n]2ccccc2c2[n]3cccc2)O1
• Title of publication: Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii) coordination polymers: pH and N-donor ligand-dependent assemblies, structure diversities and magnetic properties.
• Authors of publication: Han, Min-Le; Bai, Liang; Tang, Ping; Wu, Xue-Qian; Wu, Ya-Pan; Zhao, Jun; Li, Dong-Sheng; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14673 - 14685
• a: 12.539 ± 0.007 Å
• b: 15.879 ± 0.009 Å
• c: 19.394 ± 0.009 Å
• α: 90°
• β: 120.25 ± 0.03°
• γ: 90°
• Cell volume: 3336 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No