Information card for entry 4304133

Structure parameters

• Formula: C76 H116 Mo2 N6 O S
• Calculated formula: C76 H116 Mo2 N6 O S
• Title of publication: Thermodynamic, Kinetic, and Computational Study of Heavier Chalcogen (S, Se, and Te) Terminal Multiple Bonds to Molybdenum, Carbon, and Phosphorus
• Authors of publication: James E. McDonough; Arjun Mendiratta; John J. Curley; George C. Fortman; Serena Fantasia; Christopher C. Cummins; Elena V. Rybak-Akimova; Steven P. Nolan; Carl D. Hoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2133 - 2141
• a: 30.659 ± 0.003 Å
• b: 11.2433 ± 0.0014 Å
• c: 21.692 ± 0.003 Å
• α: 90°
• β: 101.019 ± 0.004°
• γ: 90°
• Cell volume: 7339.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No