Information card for entry 1100837

Structure parameters

• Common name: in_paper_15
• Formula: C16 H19 Co O3 S4
• Calculated formula: C16 H19 Co O3 S4
• Title of publication: CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes: Experimental and Theoretical Investigations
• Authors of publication: Schaefer, Carsten; Werz, Daniel B.; Staeb, Tobias H.; Gleiter, Rolf; Rominger, Frank
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2016 - 2113
• a: 16.4714 ± 0.0006 Å
• b: 8.3209 ± 0.0003 Å
• c: 15.0158 ± 0.0005 Å
• α: 90°
• β: 114.331 ± 0.001°
• γ: 90°
• Cell volume: 1875.23 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060511
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No