Information card for entry 4310813

Structure parameters

• Common name: Cr3(dpa)4(CCPh)1.86Cl0.14
• Formula: C54.88 H41.3 Cl0.14 Cr3 N12
• Calculated formula: C54.88 H41.3 Cl0.14 Cr3 N12
• Title of publication: An Efficient Synthesis of Acetylide/Trimetal/Acetylide Molecular Wires
• Authors of publication: John F. Berry; F. Albert Cotton; Carlos A. Murillo; Brian K. Roberts
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2277 - 2283
• a: 16.849 ± 0.005 Å
• b: 15.46 ± 0.007 Å
• c: 20.479 ± 0.003 Å
• α: 90°
• β: 110.96 ± 0.03°
• γ: 90°
• Cell volume: 4982 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0972
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No