Information card for entry 4338944

Structure parameters

• Common name: [Mo2(DAniF)2]2(C6H4O2)2, 0.5(CH2Cl2)
• Formula: C73 H70 Cl2 Mo4 N8 O12
• Calculated formula: C73 H70 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: 10.59 ± 0.003 Å
• b: 14.603 ± 0.004 Å
• c: 14.675 ± 0.004 Å
• α: 104.881 ± 0.005°
• β: 108.272 ± 0.004°
• γ: 106.46 ± 0.005°
• Cell volume: 1912 ± 0.9 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: 0.0664
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No