Information card for entry 4030941

Structure parameters

• Formula: C12 H22 K2.5 Mo2 N Na2 O21 S2
• Calculated formula: C12 K2.5 Mo2 N Na2 O20.003 S2
• SMILES: [Mo]1234([Mo]56(S1)(S2)(OC(C(=O)O5)(CC(=O)O6)CC(=O)[O-])=O)(OC(=O)C(O3)(CC(=O)O4)CC(=O)[O-])=O.[Na+].O.O.O.O.[NH4+].[K+].[K+].[K+].[Na+]
• Title of publication: A new dinuclear molybdenum(V)-sulfur complex containing citrate ligand: synthesis and characterization of K~2.5~Na~2~NH~4~[Mo~2~O~2~S~2~(cit)~2~] · 5H~2~O
• Authors of publication: Xing, Y.-H.; Xu, J.-Q.; Sun, H.-R.; Li, D.-M.; Xing, Y.; Lin, Y.-H.; Jia, H.-Q.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 35
• Journal issue: 10-11
• Pages of publication: 745 - 756
• a: 7.376 ± 0.003 Å
• b: 14.62 ± 0.002 Å
• c: 14.661 ± 0.001 Å
• α: 71.1 ± 0.01°
• β: 81.77 ± 0.01°
• γ: 78.27 ± 0.02°
• Cell volume: 1459.4 ± 0.6 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1602
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No