Information card for entry 7115210

Structure parameters

• Chemical name: 1,3-Bis(ruthenocenyl)allylium hexafluorophosphate
• Formula: C23 H21 F6 P Ru2
• Calculated formula: C23 H21 F6 P Ru2
• Title of publication: Effect of the end-groups upon delocalisation in polymethines: the first crystallographically characterised bond-alternated cyanine
• Authors of publication: Barlow, Stephen; Henling, Lawrence M.; Day, Michael W.; Marder, Seth R.; Marder, Seth R.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1567
• a: 26.409 ± 0.006 Å
• b: 15.004 ± 0.003 Å
• c: 11.97 ± 0.003 Å
• α: 90°
• β: 113.83 ± 0.02°
• γ: 90°
• Cell volume: 4338.7 ± 1.8 ų
• Cell temperature: 84 K
• Ambient diffraction temperature: 84 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: 0.0238
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.764
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No