Information card for entry 4338945

Structure parameters

• Common name: [Mo2(DAniF)2]2(O2C10H6)2(CH2Cl2)
• Formula: C81 H74 Cl2 Mo4 N8 O12
• Calculated formula: C81 H74 Cl2 Mo4 N8 O12
• Title of publication: Enhancement in electronic communication upon replacement of Mo-O by Mo-S bonds in tetranuclear clusters of the type [Mo2]2(mu-E-E)2 (E = O or S).
• Authors of publication: Cotton, F. Albert; Li, Zhong; Liu, Chun Y.; Murillo, Carlos A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9294 - 9302
• a: 10.48 ± 0.006 Å
• b: 14.735 ± 0.008 Å
• c: 14.792 ± 0.008 Å
• α: 104.701 ± 0.009°
• β: 105.451 ± 0.009°
• γ: 109.507 ± 0.008°
• Cell volume: 1922 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No