Information card for entry 4325776

Structure parameters

• Formula: C43 H32 Cl2 Mo S6
• Calculated formula: C42.9999 H31.9998 Cl1.9998 Mo S6
• Title of publication: Monoanionic Molybdenum and Tungsten Tris(dithiolene) Complexes: A Multifrequency EPR Study
• Authors of publication: Stephen Sproules; Priyabrata Banerjee; Thomas Weyhermüller; Yong Yan; James P. Donahue; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7106 - 7122
• a: 11.9102 ± 0.0006 Å
• b: 16.7887 ± 0.0009 Å
• c: 22.286 ± 0.002 Å
• α: 108.47 ± 0.004°
• β: 100.012 ± 0.004°
• γ: 97.854 ± 0.004°
• Cell volume: 4073.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No