Information card for entry 4085632

Structure parameters

• Formula: C33 H32 Cl2 N O4 P Ru
• Calculated formula: C33 H32 Cl2 N O4 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](c6ccccc6)(c6ccccc6)c6ccc(C(=O)ON7C(=O)CCC7=O)cc6)[cH]6[cH]1[c]5([cH]4[cH]2[c]36C)C(C)C
• Title of publication: Ruthenium and Osmium Complexes of Phosphine-Porphyrin Derivatives as Potential Bimetallic Theranostics: Photophysical Studies
• Authors of publication: Harvey, Pierre D.; Tasan, Semra; Gros, Claude P.; Devillers, Charles H.; Richard, Philippe; Gendre, Pierre Le; Bodio, Ewen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1218
• a: 24.5726 ± 0.0009 Å
• b: 8.0142 ± 0.0003 Å
• c: 16.8295 ± 0.0006 Å
• α: 90°
• β: 115.208 ± 0.002°
• γ: 90°
• Cell volume: 2998.6 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No