Information card for entry 4312276

Structure parameters

• Formula: C46 H51 Cl2 F12 N5 P2 Ru S
• Calculated formula: C46 H51 Cl2 F12 N5 P2 Ru S
• Title of publication: Photochemical Expulsion of the Neutral Monodentate Ligand L in Ru(Terpy*)(Diimine)(L)2+: A Dramatic Effect of the Steric Properties of the Spectator Diimine Ligand
• Authors of publication: Sylvestre Bonnet; Jean-Paul Collin; Jean-Pierre Sauvage; Emma Schofield
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8346 - 8354
• a: 12.7 ± 0.0003 Å
• b: 23.4037 ± 0.0005 Å
• c: 17.3218 ± 0.0004 Å
• α: 90°
• β: 103.614 ± 0.005°
• γ: 90°
• Cell volume: 5003.9 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for all reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections: 1.386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No