Information card for entry 1564844

Structure parameters

• Formula: C40 H38 Cl F6 N7 O3 Ru S
• Calculated formula: C40 H38 Cl F6 N7 O3 Ru S
• SMILES: [Ru]123([n]4cccc(c4N=C3Nc3ccc(Cl)cc3)C(F)(F)F)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.S(=O)(=O)([O-])C(F)(F)F.CCCCCC
• Title of publication: Luminescent Monomeric and Dimeric Ru(II) Acyclic Carbene Complexes as Selective Sensors for NH3/Amine Vapor and Humidity
• Authors of publication: Han, Jingqi; Cheng, Shun-Cheung; Yiu, Shek-Man; Tse, Man-Kit; Ko, Chi-Chiu
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.1118 ± 0.0002 Å
• b: 45.0472 ± 0.0012 Å
• c: 10.0818 ± 0.0003 Å
• α: 90°
• β: 93.415 ± 0.001°
• γ: 90°
• Cell volume: 4130.84 ± 0.19 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No