Information card for entry 7205250

Structure parameters

• Formula: C38 H32 Mn2 N8 O21
• Calculated formula: C38 H22 Mn2 N8 O21
• 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: 16.913 ± 0.008 Å
• b: 9.364 ± 0.004 Å
• c: 28.085 ± 0.013 Å
• α: 90°
• β: 101.681 ± 0.009°
• γ: 90°
• Cell volume: 4356 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No