Information card for entry 7013178

Structure parameters

• Common name: (Cr2(DpyF)4)(CuCl2)2, 2acetone
• Formula: C50 H48 Cl4 Cr2 Cu2 N16 O2
• Calculated formula: C50 H48 Cl4 Cr2 Cu2 N16 O2
• Title of publication: Isomerization by ligand shuffling along a Cr24+ unit: further reactions leading to cleavage of a quadruple bond
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3022 - 3027
• a: 8.5393 ± 0.0007 Å
• b: 17.3743 ± 0.0014 Å
• c: 18.7599 ± 0.0015 Å
• α: 94.327 ± 0.002°
• β: 96.49 ± 0.002°
• γ: 95.157 ± 0.002°
• Cell volume: 2743.9 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No