Information card for entry 4336588

Structure parameters

• Common name: [Mo2(DAniF)3]2(SOCCH4COS) 4.5CH2Cl2
• Formula: C102.5 H102 Cl9 Mo4 N12 O14 S2
• Calculated formula: C102.5 H99 Cl9 Mo4 N12 O14 S2
• Title of publication: Control of the Charge Distribution and Modulation of the Class II-III Transition in Weakly Coupled Mo2-Mo2 Systems
• Authors of publication: Xuan Xiao; Chun Y. Liu; Qiao He; Mei Juan Han; Miao Meng; Hao Lei; Xin Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12624 - 12633
• a: 11.3042 ± 0.0006 Å
• b: 14.4059 ± 0.0008 Å
• c: 18.3542 ± 0.0009 Å
• α: 103.699 ± 0.005°
• β: 101.997 ± 0.004°
• γ: 101.522 ± 0.005°
• Cell volume: 2741.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No