Information card for entry 1564843

Structure parameters

• Formula: C37 H33 Cl F3 N7 O3 Ru S
• Calculated formula: C37 H33 Cl F3 N7 O3 Ru S
• SMILES: [Ru]123([n]4ccccc4NC\3=N\c3ccc(Cl)cc3)([n]3ccc(cc3c3[n]1ccc(c3)C)C)[n]1ccc(cc1c1[n]2ccc(c1)C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 10.863 ± 0.0005 Å
• b: 11.2065 ± 0.0005 Å
• c: 16.9747 ± 0.0008 Å
• α: 84.795 ± 0.001°
• β: 85.957 ± 0.002°
• γ: 63.49 ± 0.001°
• Cell volume: 1840.49 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No