Information card for entry 7114829

Structure parameters

• Formula: C37.25 H33.5 Cl0.5 Co
• Calculated formula: C37.25 H33.5 Cl0.5 Co
• Title of publication: A solution-phase route to a tetraethynylated (cyclobutadiene)cyclopentadienylcobalt complex with a para-(1,3,2,4)-substitution patternElectronic supplementary information (ESI) available: experimental, including details of preparation and spectroscopic characterization of all new compounds. See http://www.rsc.org/suppdata/cc/b1/b109848a/
• Authors of publication: Laskoski, Matthew; Morton, Jason G. M.; Smith, Mark D.; Bunz, Uwe H. F.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2590
• a: 23.132 ± 0.002 Å
• b: 18.932 ± 0.002 Å
• c: 29.492 ± 0.004 Å
• α: 90°
• β: 102.163 ± 0.003°
• γ: 90°
• Cell volume: 12626 ± 2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• 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: 0.1344
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No