Information card for entry 4115887

Structure parameters

• Chemical name: Cr2(TPB)4(CH3CN)2,1.5CH2Cl2
• Formula: C69.5 H101 Cl3 Cr2 N2 O8
• Calculated formula: C69.5 H13 Cl3 Cr2 N2 O8
• Title of publication: After 155 Years, A Crystalline Chromium Carboxylate with a Supershort Cr-Cr Bond
• Authors of publication: F. Albert Cotton; Elizabeth A. Hillard; Carlos A. Murillo; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 416 - 417
• a: 14.445 ± 0.002 Å
• b: 16.618 ± 0.002 Å
• c: 17.529 ± 0.002 Å
• α: 65.918 ± 0.002°
• β: 74.912 ± 0.002°
• γ: 82.713 ± 0.003°
• Cell volume: 3708.1 ± 0.8 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: 0.1191
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections: 0.3019
• Weighted residual factors for significantly intense reflections: 0.2656
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No