Information card for entry 7206410

Structure parameters

• Formula: C48 H98 Cr2 Mn3 Mo12 N6 O82
• Calculated formula: C48 H42 Cr2 Mn3 Mo12 N6 O82
• Title of publication: Assembling Anderson-type polyoxometalates with manganese(ii) in the presence of pyridylacrylic acid ligands: a 2D layer and two polymorphs
• Authors of publication: An, Haiyan; Liu, Xuan; Chen, Hao; Han, Zhengbo; Zhang, Hua; Chen, Zhaofei
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 5384
• a: 14.275 ± 0.002 Å
• b: 14.3852 ± 0.0019 Å
• c: 15.755 ± 0.002 Å
• α: 115.364 ± 0.007°
• β: 93.342 ± 0.009°
• γ: 112.53 ± 0.007°
• Cell volume: 2602.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No