Information card for entry 7013177

Structure parameters

• Common name: (Cr2(DpyF)4)(CuCl2)2, CH3CN
• Formula: C46 H39 Cl4 Cr2 Cu2 N17
• Calculated formula: C46 H36 Cl4 Cr2 Cu2 N17
• 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: 8.907 ± 0.0011 Å
• b: 14.005 ± 0.002 Å
• c: 20.237 ± 0.003 Å
• α: 92.957 ± 0.002°
• β: 97.27 ± 0.002°
• γ: 90.847 ± 0.002°
• Cell volume: 2500.2 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.0921
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No