Information card for entry 2202356

Structure parameters

• Chemical name: Bis(ethylenediammonium) di-μ~5~-hydrogenphosphato-penta-μ~2~-oxo-decaoxopentamolybdenum
• Formula: C4 H22 Mo5 N4 O23 P2
• Calculated formula: C4 H22 Mo5 N4 O23 P2
• SMILES: P12([O]3[Mo]45(=O)(O[Mo]6([O]=2)(=O)(=O)[O]2P([O]7[Mo]3(O4)(=O)(=O)O[Mo]37([O]1[Mo]2(O6)(=O)(=O)O3)(=O)=O)(=[O]5)O)=O)O.C(C[NH3+])[NH3+].C(C[NH3+])[NH3+]
• Title of publication: Bis(ethylenediammonium) di-μ~5~-hydrogenphosphato-penta-μ~2~-oxo-decaoxopentamolybdenum
• Authors of publication: Sun, Qiaozhen; Zhang, Hanhui; Huang, Changcang; Sun, Qiaohong; Sun, Ruiqing; Wang, Yongjing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m729 - m730
• a: 17.6993 ± 0.001 Å
• b: 10.0639 ± 0.0008 Å
• c: 13.7659 ± 0.001 Å
• α: 90°
• β: 97.124 ± 0.0016°
• γ: 90°
• Cell volume: 2433.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes