Information card for entry 4323873

Structure parameters

• Formula: C20.5 H17 Cl Mo N2 S2
• Calculated formula: C20.5 H17 Cl Mo N2 S2
• Title of publication: Direct Conversion of α-Substituted Ketones to Metallo-1,2-enedithiolates
• Authors of publication: John K. Hsu; Cecilia J. Bonangelino; Sharada P. Kaiwar; Christine M. Boggs; James C. Fettinger; Robert S. Pilato
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4743 - 4751
• a: 21.4514 ± 0.0015 Å
• b: 15.474 ± 0.002 Å
• c: 12.2201 ± 0.0013 Å
• α: 90°
• β: 107.44 ± 0.007°
• γ: 90°
• Cell volume: 3869.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.0668
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No