Information card for entry 2007836

Structure parameters

• Chemical name: hexa potassium μ-oxo-bis{[2-hydroxy-κO-1,2,3-propanetricarboxylato(4-)-O^1^,O^2^] dioxomolybdenum(IV)} dihydrate
• Formula: C12 H12 K6 Mo2 O21
• Calculated formula: C24 H16 K12 Mo4 O42
• SMILES: C12(CC(=O)[O-])CC(=O)O[Mo](O2)(O[Mo]23(OC(CC(=O)[O-])(CC(=O)O3)C(=O)O2)(=O)=O)(OC1=O)(=O)=O.[K+].[K+].[K+].[K+].[K+].O.[K+].O
• Title of publication: Hexapotassium μ-Oxo-bis[(citrato)dioxomolybdenum] Dihydrate
• Authors of publication: Xing, Yong-Heng; Xu, Ji-Qing; Sun, Hao-Ran; Li, Dong-Mei; Wang, Ren-Zhang; Wang, Tie-Gang; Bu, Wei-Ming; Ye, Ling; Yang, Guang-Di; Fan, Yu-Guo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1615 - 1616
• a: 10.167 ± 0.002 Å
• b: 14.499 ± 0.003 Å
• c: 17.86 ± 0.004 Å
• α: 90°
• β: 92.5 ± 0.03°
• γ: 90°
• Cell volume: 2630.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.05
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No