Information card for entry 7205252

Structure parameters

• Formula: C86 H56 Mn4 N18 O34
• Calculated formula: C86 H52 Mn4 N18 O34
• Title of publication: Structural diversity of the mixed-ligand system Mn-cpdba-2,2′-bpy controlled by temperature
• Authors of publication: Sun, Jian-Ke; Li, Wei; Cai, Li-Xuan; Zhang, Jie
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1550
• a: 33.857 ± 0.013 Å
• b: 9.373 ± 0.003 Å
• c: 29.727 ± 0.011 Å
• α: 90°
• β: 112.2 ± 0.007°
• γ: 90°
• Cell volume: 8734 ± 5 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: 0.1072
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No