Information card for entry 4515040

Structure parameters

• Formula: C73 H102 Cl6 F6 N7 P Rh2
• Calculated formula: C73 H102 Cl6 F6 N7 P Rh2
• SMILES: c1([Rh]2345[CH]6=[CH]4CC[CH]5=[CH]2CC6)c(C[N]32Cc3c(n(c4c(cccc4C(C)C)C(C)C)n[n+]3c3c(cccc3C(C)C)C(C)C)[Rh]3452[CH]2=[CH]5CC[CH]3=[CH]4CC2)[n+](c2c(cccc2C(C)C)C(C)C)nn1c1c(cccc1C(C)C)C(C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Diverse Coordination Modes of Bidentate COC and Tridentate CNC Ligands Comprising 1,2,3-Triazol-5-ylidenes
• Authors of publication: Tolley, Lewis C.; Strydom, Ian; Louw, Wynand J.; Fernandes, Manuel A.; Bezuidenhout, Daniela I.; Guisado-Barrios, Gregorio
• Journal of publication: ACS Omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 6360
• a: 12.4173 ± 0.0011 Å
• b: 16.7357 ± 0.0016 Å
• c: 20.3867 ± 0.0018 Å
• α: 81.88 ± 0.006°
• β: 85.642 ± 0.006°
• γ: 86.607 ± 0.006°
• Cell volume: 4177 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2426
• Weighted residual factors for all reflections included in the refinement: 0.2779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No