Information card for entry 4112646

Structure parameters

• Common name: Cr3(dpa)4(BF4)2, 2CH2Cl2
• Formula: C42 H36 B2 Cl4 Cr3 F8 N12
• Calculated formula: C42 H36 B2 Cl4 Cr3 F8 N12
• Title of publication: Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains
• Authors of publication: John F. Berry; F. Albert Cotton; Tongbu Lu; Carlos A. Murillo; Brian K. Roberts; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 7082 - 7096
• a: 18.844 ± 0.003 Å
• b: 17.059 ± 0.003 Å
• c: 16.439 ± 0.003 Å
• α: 90°
• β: 111.71 ± 0.003°
• γ: 90°
• Cell volume: 4909.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No