Information card for entry 4122436

Structure parameters

• Formula: C116 H104 N16 O16 Ru4
• Calculated formula: C116 H98 N16 O16 Ru4
• Title of publication: Diruthenium-Polyyn-diyl-Diruthenium Wires: Electronic Coupling in the Long Distance Regime.
• Authors of publication: Cao, Zhi; Xi, Bin; Jodoin, Diane S.; Zhang, Lei; Cummings, Steven P.; Gao, Yang; Tyler, Sarah F.; Fanwick, Phillip E.; Crutchley, Robert J.; Ren, Tong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 12174
• a: 42.2274 ± 0.0019 Å
• b: 12.4325 ± 0.0009 Å
• c: 24.635 ± 0.0015 Å
• α: 90°
• β: 120.314 ± 0.003°
• γ: 90°
• Cell volume: 11164.9 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.105
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No