Information card for entry 4072543

Structure parameters

• Formula: C136 H96 Cr8 O24
• Calculated formula: C136 H96 Cr8 O24
• Title of publication: Photochemicalcis−transIsomerization ofcis-(η6-1,2-Diphenylethene)Cr(CO)3and the Molecular Structure oftrans-(η6-1,2-Diphenylethene)Cr(CO)3
• Authors of publication: Coleman, Anthony; Draper, Sylvia M.; Long, Conor; Pryce, Mary T.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4128
• a: 11.245 ± 0.0014 Å
• b: 15.5538 ± 0.0019 Å
• c: 16.19 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2831.7 ± 0.6 ų
• Cell temperature: 396 ± 2 K
• Ambient diffraction temperature: 396 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No