Information card for entry 7016036

Structure parameters

• Formula: C32 H25 F2 N7 O4 Ru S2
• Calculated formula: C32 H25 F2 N7 O4 Ru S2
• SMILES: [Ru]12(N=C=S)(N=C=S)([n]3ccc(cc3N3C=2N(C=C3)Cc2cc(cc(c2)F)F)C)[n]2ccc(cc2c2[n]1ccc(c2)C(=O)OC)C(=O)OC
• Title of publication: Carbene-based ruthenium photosensitizers.
• Authors of publication: Chen, Huei-Siou; Chang, Wei-Chun; Su, Chaochin; Li, Ting-Yu; Hsu, Nai-Mu; Tingare, Yogesh S.; Li, Chung-Yen; Shie, Jun-Han; Li, Wen-Ren
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6765 - 6770
• a: 15.827 ± 0.002 Å
• b: 17.404 ± 0.003 Å
• c: 15.344 ± 0.002 Å
• α: 90°
• β: 109.473 ± 0.003°
• γ: 90°
• Cell volume: 3984.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0535
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No