Information card for entry 4321995

Structure parameters

• Formula: C18 H36 Mo N S8
• Calculated formula: C18 H36 Mo N S8
• 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: 8.793 ± 0.0001 Å
• b: 22.3059 ± 0.0003 Å
• c: 14.5029 ± 0.0002 Å
• α: 90°
• β: 98.445 ± 0.001°
• γ: 90°
• Cell volume: 2813.7 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0976
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.146
• Weighted residual factors for significantly intense reflections: 0.1044
• Goodness-of-fit parameter for all reflections: 0.864
• Goodness-of-fit parameter for significantly intense reflections: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No