Information card for entry 4112642

Structure parameters

• Common name: Cr3(dpa)4(NCMe)2(PF6)2.2NCMe
• Formula: C48 H44 Cr3 F12 N16 P2
• Calculated formula: C48 H44 Cr3 F12 N16 P2
• 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: 28.0572 ± 0.0019 Å
• b: 10.1744 ± 0.0007 Å
• c: 22.8994 ± 0.0016 Å
• α: 90°
• β: 124.674 ± 0.001°
• γ: 90°
• Cell volume: 5376 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No