Information card for entry 7115215

Structure parameters

• Formula: C61 H46 Cl4 Cr5 N20
• Calculated formula: C61 H46 Cl4 Cr5 N20
• Title of publication: Getting the right answer to a key question concerning molecular wires
• Authors of publication: Albert Cotton, F.; Daniels, Lee M.; Murillo, Carlos A.; Wang, Xiaoping; Murillo, Carlos A.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2461
• a: 16.8315 ± 0.0005 Å
• b: 18.176 ± 0.001 Å
• c: 39.571 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12105.9 ± 1.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections: 0.2079
• Weighted residual factors for significantly intense reflections: 0.1895
• Goodness-of-fit parameter for all reflections: 1.264
• Goodness-of-fit parameter for significantly intense reflections: 1.307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No