Information card for entry 7013404

Structure parameters

• Formula: C47 H51 Br F3 N5 O9 Ru S
• Calculated formula: C47 H51 Br F3 N5 O9 Ru S
• SMILES: [Ru]123([n]4c(c5[n]1cccc5)cccc4)([n]1ccccc1c1[n]2cccc1)c1c(NC=3Cc2cc3OCCOCCOCCOCCOc3cc2)ccc(Br)c1.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC
• 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: 14.063 ± 0.003 Å
• b: 17.027 ± 0.003 Å
• c: 20.484 ± 0.004 Å
• α: 90°
• β: 91.5 ± 0.03°
• γ: 90°
• Cell volume: 4903.2 ± 1.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No