Information card for entry 4323376

Structure parameters

• Formula: C20 H26 Mo P2 S4
• Calculated formula: C20 H26 Mo P2 S4
• SMILES: [Mo]1234([P](CCS1)(CCS2)c1ccccc1)[P](CCS3)(CCS4)c1ccccc1
• Title of publication: Template Synthesis and Reactions of Tricarbonylmolybdenum Phosphadithiamacrocycle Complexes
• Authors of publication: Philip J. Blower; John C. Jeffery; John R. Miller; Spencer N. Salek; Dirk Schmaljohann; Raymond J. Smith; Michael J. Went
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1578 - 1582
• a: 8.105 ± 0.003 Å
• b: 8.263 ± 0.003 Å
• c: 17.663 ± 0.004 Å
• α: 100.29 ± 0.02°
• β: 99.775 ± 0.015°
• γ: 98.81 ± 0.02°
• Cell volume: 1126.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for all reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0505
• Goodness-of-fit parameter for all reflections: 1.151
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No