Information card for entry 4106800

Structure parameters

• Formula: C116 H108 N20 O6 Ru4
• Calculated formula: C112.88 H72 N20 O5.22 Ru4
• Title of publication: Modulation of Electronic Couplings within Ru2-Polyyne Frameworks
• Authors of publication: Bin Xi; Isiah P.-C. Liu; Guo-Lin Xu; Mohommad M. R. Choudhuri; Maria C. DeRosa; Robert J. Crutchley; Tong Ren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15094 - 15104
• a: 16.2323 ± 0.0016 Å
• b: 35.319 ± 0.004 Å
• c: 19.3815 ± 0.0019 Å
• α: 90°
• β: 95.983 ± 0.002°
• γ: 90°
• Cell volume: 11051 ± 2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.1024
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No