Information card for entry 2226015

Structure parameters

• Chemical name: Tris(ethylenediammonium) bis[(2-aminoethyl)ammonium] bis[bis(μ~5~- hydrogen phosphato)penta-μ~2~-oxido-decaoxidopentamolybdenum(VI)] decahydrate
• Formula: C10 H72 Mo10 N10 O56 P4
• Calculated formula: C10 H72 Mo10 N10 O56 P4
• SMILES: C(C[NH3+])[NH3+].C(C[NH3+])N.C(C[NH3+])[NH3+].OP12[O]3[Mo]45([O]=P6(O)[O]7[Mo]3(O4)(=O)(=O)O[Mo]37([O]1[Mo]1([O]6[Mo]([O]=2)(O5)(O1)(=O)=O)(O3)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.O.C(C[NH3+])[NH3+].C(C[NH3+])N.OP12[O]3[Mo]45([O]=P6(O)[O]7[Mo]3(O4)(=O)(=O)O[Mo]37([O]1[Mo]1([O]6[Mo]([O]=2)(O5)(O1)(=O)=O)(O3)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.O
• Title of publication: Tris(ethylenediammonium) bis[(2-aminoethyl)ammonium] bis[bis(μ~5~-hydrogen phosphato)penta-μ~2~-oxido-decaoxidopentamolybdenum(VI)] decahydrate
• Authors of publication: Lu, Jing; Song, Hao; Wang, Da-Qi; Niu, Mei-Ju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m599 - m600
• a: 10.0045 ± 0.0011 Å
• b: 10.6625 ± 0.0012 Å
• c: 15.1884 ± 0.0019 Å
• α: 87.405 ± 0.002°
• β: 73.119 ± 0.001°
• γ: 77.978 ± 0.001°
• Cell volume: 1516.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes