Information card for entry 4302787

Structure parameters

• Common name: [Mo2(DAnif)3]2(S2CC6H4CS2)
• Formula: C103.6 H104.1 Cl5.2 Mo4 N12 O13.5 S4
• Calculated formula: C103.6 H99.2 Cl5.2 Mo4 N12 O13.5 S4
• Title of publication: Enhanced Electronic Coupling in a Molecular Pair of Dimolybdenum Units Bridged by a Tetrathioterephthalate Dianion
• Authors of publication: Mei Juan Han; Chun Y. Liu; Peng Fei Tian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6347 - 6349
• a: 10.458 ± 0.004 Å
• b: 13.999 ± 0.005 Å
• c: 20.6 ± 0.008 Å
• α: 77.172 ± 0.005°
• β: 79.503 ± 0.005°
• γ: 74.101 ± 0.005°
• Cell volume: 2804.3 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No