Information card for entry 4305635

Structure parameters

• Formula: C88 H100 Cl8 Mo6 N2 O P4 S6
• Calculated formula: C88 H90 Cl8 Mo6 N2 O P4 S6
• Title of publication: Synthesis and Study of Hexanuclear Molybdenum Clusters Containing Thiolate Ligands
• Authors of publication: Lisa F. Szczepura; Karen A. Ketcham; Betty A. Ooro; Julia A. Edwards; Jeffrey N. Templeton; David L. Cedeño; Alan J. Jircitano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7271 - 7278
• a: 12.3894 ± 0.0011 Å
• b: 13.7651 ± 0.0012 Å
• c: 15.0974 ± 0.0013 Å
• α: 103.975 ± 0.002°
• β: 99.69 ± 0.002°
• γ: 98.062 ± 0.002°
• Cell volume: 2418.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No