Information card for entry 7050554

Structure parameters

• Formula: C18.5 H15 Mn N2 O5
• Calculated formula: C18.5 H12 Mn N2 O5.005
• Title of publication: Structural transformation mediated by o-, m-, and p-phthalates from two to three dimensions for manganese/phthalate/4,4'-bpy complexes (4,4'-bpy = 4,4'-bipyridine)
• Authors of publication: Ma, Chengbing; Chen, Changneng; Liu, Qiutian; Liao, Daizheng; Li, Licun; Sun, Licheng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 890
• a: 10.116 ± 0.002 Å
• b: 11.562 ± 0.002 Å
• c: 16.084 ± 0.003 Å
• α: 90°
• β: 102.99 ± 0.03°
• γ: 90°
• Cell volume: 1833.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No