Information card for entry 7210127

Structure parameters

• Formula: C12 H66 Cu3 Mo8 N4 O51
• Calculated formula: C12 H14 Cu3 Mo8 N4 O51
• Title of publication: Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates
• Authors of publication: Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 4711
• a: 9.4918 ± 0.0009 Å
• b: 9.9627 ± 0.0009 Å
• c: 17.1173 ± 0.0016 Å
• α: 84.318 ± 0.002°
• β: 83.069 ± 0.002°
• γ: 72.651 ± 0.002°
• Cell volume: 1530.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No