Information card for entry 7029450

Structure parameters

• Formula: C78 H62 Co3 N8 O14
• Calculated formula: C78 H62 Co3 N8 O14
• Title of publication: Solvents and auxiliary ligands co-regulate three antiferromagnetic Co(ii) MOFs based on a semi-rigid carboxylate ligand.
• Authors of publication: Cui, Lin; Yang, Guo-Ping; Wu, Wei-Ping; Miao, Hui-Hui; Shi, Qi-Zhen; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5823 - 5830
• a: 12.856 ± 0.003 Å
• b: 11.081 ± 0.003 Å
• c: 27.351 ± 0.006 Å
• α: 90°
• β: 114.913 ± 0.009°
• γ: 90°
• Cell volume: 3533.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1668
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No