Information card for entry 7205251

Structure parameters

• Formula: C24 H18 Mn N5 O9.5
• Calculated formula: C24 H15 Mn N5 O9.5
• 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: 24.82 ± 0.002 Å
• b: 13.4888 ± 0.0009 Å
• c: 7.3141 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2448.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No