Information card for entry 4117038

Structure parameters

• Formula: C41 H34 B Cl3 Cr3 F4 N12
• Calculated formula: C42 H36 B Cl5 Cr3 F4 N12
• Title of publication: Compounds with Linear, Bonded Trichromium Chains
• Authors of publication: Cotton, F. Albert; Daniels, Lee M.; Murillo, Carlos A.; Pascual, Isabel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Journal issue: 42
• Pages of publication: 10223 - 10224
• a: 19.114 ± 0.002 Å
• b: 16.746 ± 0.001 Å
• c: 15.6554 ± 0.001 Å
• α: 90°
• β: 110.92 ± 0.01°
• γ: 90°
• Cell volume: 4680.7 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.0881
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No