Information card for entry 7011958

Structure parameters

• Formula: C27 H26 Cr O2
• Calculated formula: C27 H26 Cr O2
• Title of publication: Redox routes to arenechromium complexes of two-, three- and four-electron alkynes; structure and bonding in paramagnetic [Cr(CO)L(η-RCCR)(η-arene)]+
• Authors of publication: Christopher J. Adams; Ian M. Bartlett; Neil G. Connelly; David J. Harding; Owen D. Hayward; Antonio J. Martín; A. Guy Orpen; Michael J. Quayle; Philip H. Rieger
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4281 - 4288
• a: 7.1132 ± 0.0014 Å
• b: 9.353 ± 0.003 Å
• c: 16.781 ± 0.003 Å
• α: 88.5 ± 0.2°
• β: 81.84 ± 0.16°
• γ: 72 ± 0.2°
• Cell volume: 1050.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No