Information card for entry 7042487

Structure parameters

• Formula: C96 H98 Cl8 Mo4 N12 O14 S2
• Calculated formula: C96 H98 Cl8 Mo4 N12 O14 S2
• Title of publication: A study of asymmetrical mixed-valent Mo2-Mo2 complexes in the class III regime.
• Authors of publication: Mallick, Suman; Cheng, Tao; Chen, Lu; Meng, Miao; Zhang, Yu Yu; Liu, Chun Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5711 - 5723
• a: 12.4057 ± 0.0006 Å
• b: 14.47 ± 0.0006 Å
• c: 15.4898 ± 0.0007 Å
• α: 72.209 ± 0.004°
• β: 83.612 ± 0.004°
• γ: 71.215 ± 0.004°
• Cell volume: 2506.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No