Information card for entry 4030243

Structure parameters

• Formula: C60 H52 Cl4 Mo4 O18
• Calculated formula: C48 Cl2 Mo4 O18
• SMILES: [Mo]123(Cl)([O]4[Mo]56([Mo]784([O]5[Mo](Cl)([O]=C(O7)c4ccc(cc4)C)(OC(=[O]8)c4ccc(cc4)C)([O]=C(O6)c4ccc(cc4)C)=O)([O]=C(O3)c3ccc(cc3)C)=O)(=O)([O]=C(c3ccc(cc3)C)O1)OC(=[O]2)c1ccc(cc1)C)=O
• Title of publication: Synthesis and study on structure of tetramolybdenum (V) complex [Mo4(mu3-O)2O4Cl2(p-OCOC6H4CH3)6].2C6H5Cl
• Authors of publication: Chunting, Sun; Chunxiao, Guo; Yan, Jiang; Tiejin, Li; Ling, Ye; Yuguo, Fan
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1989
• Journal volume: 26
• Pages of publication: 231 - 239
• a: 11.869 ± 0.003 Å
• b: 16.896 ± 0.007 Å
• c: 17.586 ± 0.005 Å
• α: 78.72 ± 0.03°
• β: 74.21 ± 0.02°
• γ: 83.9 ± 0.03°
• Cell volume: 3322.8 ± 1.9 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0474
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No