Information card for entry 4515039

Structure parameters

• Formula: C58 H72 Cl2 N6 O5 Rh2
• Calculated formula: C58 H72 Cl2 N6 O5 Rh2
• SMILES: c1(c(COCc2c(n(c3c(cccc3C(C)C)C(C)C)n[n+]2c2c(cccc2C(C)C)C(C)C)[Rh](C#[O])(C#[O])Cl)[n+](c2c(cccc2C(C)C)C(C)C)nn1c1c(cccc1C(C)C)C(C)C)[Rh](C#[O])(C#[O])Cl
• 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: 10.4449 ± 0.0004 Å
• b: 15.9061 ± 0.0006 Å
• c: 17.7631 ± 0.0007 Å
• α: 87.305 ± 0.002°
• β: 76.657 ± 0.002°
• γ: 88.373 ± 0.002°
• Cell volume: 2867.81 ± 0.19 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: 0.1187
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No