Information card for entry 7115217

Structure parameters

• Formula: C64 H54 Cl2 Cr5 N20 O
• Calculated formula: C64.08 H40 Cl2 Cr5 N20 O1.02
• 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: 10.7234 ± 0.0007 Å
• b: 10.7234 ± 0.0007 Å
• c: 26.663 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3066 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections: 0.164
• Weighted residual factors for significantly intense reflections: 0.1441
• Goodness-of-fit parameter for all reflections: 0.998
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No