Information card for entry 4309627

Structure parameters

• Common name: Ammonia molybdenum(V) citrate
• Formula: C12 H38 Mo2 N6 O21
• Calculated formula: C12 H38 Mo2 N6 O21
• SMILES: [Mo]123(OC(C(=O)O1)(CC(=O)O2)CC(=O)[O-])(O[Mo]12(O3)(OC(C(=O)O1)(CC(=O)O2)CC(=O)[O-])=O)=O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O.O
• Title of publication: Dimeric Dioxomolybdenum(VI) and Oxomolybdenum(V) Complexes with Citrate at Very Low pH and Neutral Conditions
• Authors of publication: Zhao-Hui Zhou; Yuan-Fu Deng; Ze-Xing Cao; Rong-Hua Zhang; Yuan L. Chow
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6912 - 6914
• a: 9.6932 ± 0.0005 Å
• b: 10.6198 ± 0.0007 Å
• c: 15.1487 ± 0.0005 Å
• α: 109.629 ± 0.004°
• β: 99.707 ± 0.003°
• γ: 73.106 ± 0.005°
• Cell volume: 1401.03 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No