Information card for entry 7009907

Structure parameters

• Formula: C28 H26 Mo2 O6 S3
• Calculated formula: C28 H26 Mo2 O6 S3
• Title of publication: Deconstruction of cyclic and acyclic trithiocarbonates by C‒S and CS bond cleavage during oxidative decarbonylation of dimolybdenum alkyne complexes †
• Authors of publication: Adams, Harry; Allott, Christopher; Bancroft, Matthew N.; Morris, Michael J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4145
• a: 10.051 ± 0.002 Å
• b: 12.137 ± 0.004 Å
• c: 12.26 ± 0.003 Å
• α: 78.15 ± 0.02°
• β: 77.21 ± 0.01°
• γ: 87.97 ± 0.02°
• Cell volume: 1427.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections: 0.2891
• Weighted residual factors for significantly intense reflections: 0.1964
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No