Information card for entry 7013403

Structure parameters

• Formula: C39 H35 Br F3 N5 O3 Ru S
• Calculated formula: C39 H35 Br F3 N5 O3 Ru S
• SMILES: [Ru]123([n]4cc(ccc4c4[n]1cc(cc4)C)C)([n]1cc(ccc1c1[n]2cc(cc1)C)C)c1c(NC=3Cc2ccccc2)ccc(Br)c1.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Syntheses, crystal structures, photophysics and cation-binding studies of luminescent functionalized ruthenium polypyridine complexes with orthometallated aminocarbene ligands
• Authors of publication: Yam, Vivian Wing-Wah; Ko, Chi-Chiu; Chu, Ben Wai-Kin; Zhu, Nianyong
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 3914
• a: 10.536 ± 0.002 Å
• b: 13.332 ± 0.003 Å
• c: 14.986 ± 0.003 Å
• α: 69.68 ± 0.03°
• β: 82.28 ± 0.03°
• γ: 74.5 ± 0.03°
• Cell volume: 1900.2 ± 0.8 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No