Information card for entry 7034809

Structure parameters

• Formula: C105 H72.5 Co6 N13.5 O25
• Calculated formula: C102 H66 Co6 N12 O25
• Title of publication: 1D-3D mixed-ligand frameworks with an unusual dmp topology tuned by intersection angles of isomeric benzenedicarboxylates: magnetic properties, gas-dependent calcination-thermolysis and energy storage performances.
• Authors of publication: Li, Zuo-Xi; Ye, Gan; Han, Juan; Yang, Ying; Zou, Kang-Yu; Wang, Xin; Wang, Xiao-Ling; Gou, Xiao-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 9209 - 9220
• a: 23.577 ± 0.004 Å
• b: 21.515 ± 0.004 Å
• c: 20.12 ± 0.004 Å
• α: 90°
• β: 112.54 ± 0.003°
• γ: 90°
• Cell volume: 9426 ± 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: 0.1021
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No