Information card for entry 4309626

Structure parameters

• Common name: citrato molybdenum potassium
• Formula: C12 H21 K Mo2 O23
• Calculated formula: C12 H21 K Mo2 O23
• SMILES: C(=O)(O)CC12O[Mo](OC1=O)(=O)([OH][Mo]13(OC(C(=O)O1)(CC(=[O]3)O)CC(=O)O)(=O)=O)([O]=C(C2)O)=O.[K+].O.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: 6.7618 ± 0.0005 Å
• b: 22.3456 ± 0.0015 Å
• c: 8.5338 ± 0.0006 Å
• α: 90°
• β: 109.077 ± 0.001°
• γ: 90°
• Cell volume: 1218.61 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No