Information card for entry 7053186

Structure parameters

• Formula: C37 H30 F6 N5 O1.5 P2 Ru
• Calculated formula: C37 H30 F6 N5 O1.5 P2 Ru
• SMILES: O.c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1)[P](=O)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Evidence of the unprecedented conversion of intermolecular proton to water bridging of two phosphoryl ruthenium complexes
• Authors of publication: Sylvain, Rémy; Vendier, Laure; Bijani, Christian; Santoro, Antonio; Puntoriero, Fausto; Campagna, Sebastiano; Sutra, Pierre; Igau, Alain
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 11
• Pages of publication: 3543
• a: 28.4278 ± 0.0006 Å
• b: 28.4278 ± 0.0006 Å
• c: 17.0604 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13787.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No