Information card for entry 1100835

Structure parameters

• Common name: in_paper_11
• Formula: C19 H25 Co O S4 Si
• Calculated formula: C19 H25 Co O S4 Si
• 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: 8.8194 ± 0.0001 Å
• b: 8.8964 ± 0.0001 Å
• c: 14.4346 ± 0.0002 Å
• α: 76.275 ± 0.001°
• β: 86.03 ± 0.001°
• γ: 84.964 ± 0.001°
• Cell volume: 1094.59 ± 0.02 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060509
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No