Information card for entry 4323379

Structure parameters

• Chemical name: 1-phenyl,1-sulfido(1-phospha-4,7-dithiacyclononane)
• Formula: C12 H17 P S3
• Calculated formula: C12 H17 P S3
• 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: 6.65 ± 0.004 Å
• b: 7.313 ± 0.002 Å
• c: 14.687 ± 0.009 Å
• α: 90°
• β: 101.62 ± 0.03°
• γ: 90°
• Cell volume: 699.6 ± 0.6 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.096
• Goodness-of-fit parameter for significantly intense reflections: 3.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No