Information card for entry 4333110

Structure parameters

• Common name: K5[(MoO2)2O3(C7H7O7)2]Cl.5H2O
• Formula: C14 H24 Cl K5 Mo4 O30
• Calculated formula: C14 H22 Cl K5 Mo4 O30
• SMILES: [Mo]123(O[C@@](C(=O)O1)(CC1[O]2[Mo]2(O3)([O]=C3[O]4[Mo]([O]=1)(O2)(O[Mo]14(O[C@@](C(=O)O1)(C3)CCC(=O)O)(=O)=O)(=O)=O)(=O)=O)CCC(=O)O)(=O)=O.[K+].[K+].[K+].[K+].[K+].[Cl-].O.O.O.O.O.[Mo]123(O[C@](C(=O)O1)(CC1[O]2[Mo]2(O3)([O]=C3[O]4[Mo]([O]=1)(O2)(O[Mo]14(O[C@](C(=O)O1)(C3)CCC(=O)O)(=O)=O)(=O)=O)(=O)=O)CCC(=O)O)(=O)=O.[K+].[K+].[K+].[K+].[K+].[Cl-].O.O.O.O.O
• Title of publication: Syntheses, Spectroscopies and Structures of Molybdenum(VI) Complexes with Homocitrate
• Authors of publication: Zhou, Zhao-Hui; Hou, Shu-Ya; Cao, Ze-Xing; Tsai, Khi-Rui; Chow, Yuan L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8447 - 8451
• a: 11.1613 ± 0.0005 Å
• b: 12.188 ± 0.0006 Å
• c: 15.2829 ± 0.0007 Å
• α: 86.64 ± 0.001°
• β: 72.296 ± 0.001°
• γ: 67.387 ± 0.001°
• Cell volume: 1824.25 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No