Information card for entry 1507458

Structure parameters

• Formula: C37.5 H31 Co
• Calculated formula: C37.5 H27 Co
• Title of publication: Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion
• Authors of publication: Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J.
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 2075
• a: 7.0791 ± 0.0007 Å
• b: 13.176 ± 0.001 Å
• c: 15.734 ± 0.002 Å
• α: 111.494 ± 0.002°
• β: 95.57 ± 0.002°
• γ: 100.867 ± 0.002°
• Cell volume: 1318.7 ± 0.2 ų
• Cell temperature: 149.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.593
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No