Information card for entry 4515042

Structure parameters

• Formula: C57 H72 Cl N7 O3 Rh2
• Calculated formula: C57 H72 Cl N7 O3 Rh2
• SMILES: c12c(C[N]34Cc5c(n(c6c(cccc6C(C)C)C(C)C)n[n+]5c5c(cccc5C(C)C)C(C)C)[Rh]523(C#[O])C(=O)[Rh]45(C#[O])Cl)[n+](c2c(cccc2C(C)C)C(C)C)nn1c1c(cccc1C(C)C)C(C)C
• 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: 10.7323 ± 0.0018 Å
• b: 13.222 ± 0.002 Å
• c: 21.491 ± 0.003 Å
• α: 82.115 ± 0.003°
• β: 78.984 ± 0.004°
• γ: 86.235 ± 0.003°
• Cell volume: 2962.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No