Information card for entry 4112639

Structure parameters

• Common name: Cr3(dpa)4Cl2, Et2O
• Formula: C44 H42 Cl2 Cr3 N12 O
• Calculated formula: C44 H42 Cl2 Cr3 N12 O
• 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: 16.1062 ± 0.0009 Å
• b: 15.8183 ± 0.0009 Å
• c: 17.0329 ± 0.0009 Å
• α: 90°
• β: 98.471 ± 0.001°
• γ: 90°
• Cell volume: 4292.2 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No