Information card for entry 4302898

Structure parameters

• Formula: C44 H39 F3 N3 O5 P Ru S
• Calculated formula: C44 H39 F3 N3 O5 P Ru S
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)(n7cccc7C(=c7[n]1ccc7)c1ccc(N(=O)=O)cc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Heteroleptic Arene Ruthenium Complexes Based onmeso-Substituted Dipyrrins: Synthesis, Structure, Reactivity, and Electrochemical Studies
• Authors of publication: Mahendra Yadav; Ashish Kumar Singh; Biswajit Maiti; Daya Shankar Pandey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7593 - 7603
• a: 20.2148 ± 0.0004 Å
• b: 12.6772 ± 0.0002 Å
• c: 16.3008 ± 0.0003 Å
• α: 90°
• β: 101.722 ± 0.002°
• γ: 90°
• Cell volume: 4090.24 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0449
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No