Information card for entry 4337356

Structure parameters

• Formula: C46 H64 Cl F12 N9 O7 P2 Ru
• Calculated formula: C34 H36 Cl F12 N9 O P2 Ru
• SMILES: [Ru]123([n]4c(cccc4)c4[n]1cccc4)([n]1c(cccc1)c1[n]2cccc1)[n]1cnc(Cl)cc1N1CCCN2CCC[N]3=C12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Red-Emitting [Ru(bpy)2(N-N)](2+) Photosensitizers: Emission from a Ruthenium(II) to 2,2'-Bipyridine (3)MLCT State in the Presence of Neutral Ancillary "Super Donor" Ligands.
• Authors of publication: Pal, Amlan K.; Nag, Samik; Ferreira, Janaina G.; Brochery, Victor; La Ganga, Giuseppina; Santoro, Antonio; Serroni, Scolastica; Campagna, Sebastiano; Hanan, Garry S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1679 - 1689
• a: 12.0837 ± 0.0005 Å
• b: 12.3164 ± 0.0004 Å
• c: 14.5069 ± 0.0005 Å
• α: 88.11 ± 0.002°
• β: 81.464 ± 0.002°
• γ: 82.341 ± 0.002°
• Cell volume: 2115.87 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No