Information card for entry 7101296

Structure parameters

• Formula: C74 H68 F12 N8 P2 Ru
• Calculated formula: C74 H68 F12 N8 P2 Ru
• SMILES: [Ru]123([n]4cnc5c6c4c4[n]1cnc1c4c4c6c(c6c5cc(cc6)C(C)(C)C)c(c(c4c4c1cc(cc4)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Intermolecular Interactions of Extended Aromatic Ligands: The Synchrotron Molecular Structures of [Ru(bpy)2(N-HSB)].2PF6 and [Ru(bpy)2(N-1/2HSB)].2PF6
• Authors of publication: Sylvia M. Draper; Christopher M. Fitchett; Daniel J. Gregg
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 29
• a: 13.277 ± 0.002 Å
• b: 17.707 ± 0.002 Å
• c: 18.273 ± 0.002 Å
• α: 68.345 ± 0.002°
• β: 89.786 ± 0.002°
• γ: 78.094 ± 0.002°
• Cell volume: 3894.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2485
• Residual factor for significantly intense reflections: 0.1962
• Weighted residual factors for significantly intense reflections: 0.4741
• Weighted residual factors for all reflections included in the refinement: 0.5001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.775
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6778 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No