Information card for entry 4346678

Structure parameters

• Formula: C106 H108 Mo4 N12 O16.5 S4
• Calculated formula: C106 H108 Mo4 N12 O16.5 S4
• Title of publication: Electronic Coupling in [Mo2]-Bridge-[Mo2] Systems with Twisted Bridges.
• Authors of publication: Zhang, Hong Li; Zhu, Guang Yuan; Wang, Gangyi; Meng, Miao; Liu, Chun Y.; Lei, Hao
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11314 - 11322
• a: 11.3795 ± 0.0006 Å
• b: 13.3623 ± 0.0008 Å
• c: 18.6024 ± 0.0011 Å
• α: 101.421 ± 0.005°
• β: 98.685 ± 0.005°
• γ: 98.148 ± 0.005°
• Cell volume: 2697.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No