Information card for entry 7223545

Structure parameters

• Formula: C42 H30 Co N8 O12
• Calculated formula: C42 H30 Co N8 O12
• SMILES: [n]12cc[nH]c1c1[nH]cc[n]1[Co]12([n]2cc[nH]c2c2[nH]cc[n]12)([O]=C(c1cc(C(=O)[O-])ccc1c1ccc(C(=O)O)cc1)O)[O]=C(c1cc(C(=O)[O-])ccc1c1ccc(C(=O)O)cc1)O
• Title of publication: Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks
• Authors of publication: Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 765
• a: 8.0674 ± 0.001 Å
• b: 9.264 ± 0.0015 Å
• c: 13.4563 ± 0.0018 Å
• α: 72.758 ± 0.013°
• β: 83.095 ± 0.011°
• γ: 82.579 ± 0.012°
• Cell volume: 948.9 ± 0.2 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: 0.1322
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.2333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No