Information card for entry 7051043

Structure parameters

• Formula: C52 H42 B4 F16 N10 Ru
• Calculated formula: C52 H42 B4 F16 N10 Ru
• Title of publication: Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects
• Authors of publication: Benniston, Andrew C.; Mackie, Philip R.; Farrugia, Louis J.; Smith, Graeme; Teat, Simon J.; McLean, Andrew J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 458
• a: 13.1025 ± 0.0001 Å
• b: 13.5227 ± 0.0001 Å
• c: 16.4607 ± 0.0001 Å
• α: 94.579 ± 0.001°
• β: 102.822 ± 0.001°
• γ: 105.621 ± 0.001°
• Cell volume: 2708.33 ± 0.04 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.6849 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No