Information card for entry 4109925

Structure parameters

• Formula: C48 H74 N30 Nd2 O28 Ru3
• Calculated formula: C48 H38 N30 Nd2 O28 Ru3
• 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: 33.916 ± 0.007 Å
• b: 13.304 ± 0.003 Å
• c: 19.723 ± 0.004 Å
• α: 90°
• β: 124.7 ± 0.03°
• γ: 90°
• Cell volume: 7317 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No