Information card for entry 4112649

Structure parameters

• Common name: Cr3(dpa)4(NCS)2, (toluene)2
• Formula: C56 H48 Cr3 N14 S2
• Calculated formula: C56 H47 Cr3 N14 S2
• 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: 14.285 ± 0.001 Å
• b: 24.3558 ± 0.0017 Å
• c: 31.508 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10962.3 ± 1.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No