Information card for entry 7205224

Structure parameters

• Formula: C40 H24 Mn3 N2 O22
• Calculated formula: C40 H24 Mn3 N2 O22
• Title of publication: Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals
• Authors of publication: Karmakar, Anirban; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 350
• a: 28.0246 ± 0.0006 Å
• b: 12.3747 ± 0.0003 Å
• c: 14.1946 ± 0.0003 Å
• α: 90°
• β: 109.489 ± 0.0011°
• γ: 90°
• Cell volume: 4640.6 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No