Information card for entry 4321994

Structure parameters

• Formula: C28 H60 Mo N3 S12
• Calculated formula: C28 Mo N3 S12
• Title of publication: Synthesis and Structural Characterizations of New Mononuclear and Dinuclear Molybdenum(V) Anions Containing Trithiocarbonate Ligands
• Authors of publication: C. Simonnet-Jégat; E. Cadusseau; R. Dessapt; F. Sécheresse
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2335 - 2339
• a: 18.5249 ± 0.0005 Å
• b: 11.8058 ± 0.0004 Å
• c: 20.2942 ± 0.0005 Å
• α: 90°
• β: 102.951 ± 0.001°
• γ: 90°
• Cell volume: 4325.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1663
• Weighted residual factors for significantly intense reflections: 0.1416
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No