Information card for entry 4117039

Structure parameters

• Formula: C48 H50 B2 Cl4 Cr3 F9 N12
• Calculated formula: C39.1111 H28.4444 B1.77778 Cl2.22222 Cr2.66667 F8 N10.6667
• 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: 23.8784 ± 0.0014 Å
• b: 29.488 ± 0.001 Å
• c: 14.244 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10030 ± 6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections: 0.2349
• Weighted residual factors for significantly intense reflections: 0.2028
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No