Information card for entry 2014516

Structure parameters

• Chemical name: 1,4-Dimethylpyridinium hexakis(dimethylformamide-κO)calcium(II) tetracontaoxophosphidododecamolybdate
• Formula: C25 H52 Ca Mo12 N7 O46 P
• Calculated formula: C25 H52 Ca Mo12 N7 O46 P
• Title of publication: 1,4-Dimethylpyridinium hexakis(dimethylformamide-κ<i>O</i>)calcium(II) dodecamolybdophosphate
• Authors of publication: Xue-Jie Tan; Si-Xiu Sun; Jian-Ping Ma; Lian-Dong Liu; Yu-Bin Dong; Wen-Tao Yu; Dian-Xiang Xing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m476 - m478
• a: 38.293 ± 0.006 Å
• b: 13.246 ± 0.002 Å
• c: 12.888 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6537.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes