Information card for entry 7210936

Structure parameters

• Formula: C70 H66 Co2 N2 O20
• Calculated formula: C70 H46 Co2 N2 O20
• SMILES: C(=O)(c1ccc(cc1)C#Cc1c2ccccc2c(c2ccccc12)C#Cc1ccc(cc1)C(=O)[O-])O[Co]1([OH2])([OH2])([OH2][Co](OC(=O)c2ccc(cc2)C#Cc2c3ccccc3c(c3ccccc23)C#Cc2ccc(cc2)C(=O)[O-])([OH2])([OH2]1)([OH2])[OH2])[OH2].N(C)(C)C=O.O.N(C)(C)C=O.O
• Title of publication: Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework
• Authors of publication: Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 8273
• a: 24.117 ± 0.005 Å
• b: 7.1088 ± 0.0014 Å
• c: 19.077 ± 0.004 Å
• α: 90°
• β: 112.94 ± 0.03°
• γ: 90°
• Cell volume: 3012 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1658
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No