Information card for entry 4109923

Structure parameters

• Formula: C48 H60 N30 O21 Ru3 Sm2
• Calculated formula: C48 H38 N30 O21 Ru3 Sm2
• Title of publication: Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene
• Authors of publication: Juan-Manuel Herrera; Simon J. A. Pope; Anthony J. H. M. Meijer; Timothy L. Easun; Harry Adams; Wassim Z. Alsindi; Xue-Zhong Sun; Michael W. George; Stephen Faulkner; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11491 - 11504
• a: 33.057 ± 0.01 Å
• b: 13.055 ± 0.004 Å
• c: 19.39 ± 0.006 Å
• α: 90°
• β: 124.669 ± 0.004°
• γ: 90°
• Cell volume: 6882 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1232
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No