Information card for entry 2015496

Structure parameters

• Chemical name: Bis(aminodiethylammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate
• Formula: C8 H40 Mo5 N6 O27 P2
• Calculated formula: C8 H40 Mo5 N6 O27 P2
• SMILES: [Mo]123(=O)(=O)O[Mo]45(=O)(=O)O[Mo]67(=O)(=O)O[Mo]89(=O)(=O)O[Mo](=O)(=O)(O1)([O]8P(=[O]2)(O)[O]46)[O]=P(O)([O]35)[O]79.[NH3+]CCNCC[NH3+].[NH3+]CCNCC[NH3+].O.O.O.O
• Title of publication: Bis(iminodiethylenediammonium) di-μ~5~-hydrogenphosphato-pentamolybdate(VI) tetrahydrate
• Authors of publication: Feng Geng; Guo-Hua Han; Bi-Zhou Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m355 - m357
• a: 10.3497 ± 0.0014 Å
• b: 10.9934 ± 0.0015 Å
• c: 15.751 ± 0.002 Å
• α: 95.65 ± 0.006°
• β: 95.734 ± 0.006°
• γ: 111.408 ± 0.005°
• Cell volume: 1642.4 ± 0.4 ų
• Cell temperature: 294 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes