Information card for entry 7712814

Structure parameters

• Formula: C43 H32 Cl2 N2 O3 Pt
• Calculated formula: C43 H32 Cl2 N2 O3 Pt
• SMILES: [Pt]12(=C3N(c4c(N3C)c3c(cc4)ccc4c3c3c(cc4)cccc3)c3ccc(OC)cc23)OC(=CC(=[O]1)c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Enantiopure cycloplatinated pentahelicenic N-heterocyclic carbenic complexes that display long-lived circularly polarized phosphorescence.
• Authors of publication: Kundu, Debsouri; Del Rio, Natalia; Cordier, Marie; Vanthuyne, Nicolas; Puttock, Emma V. Victoria; Meskers, Stefan C. J.; Williams, Gareth; Srebro-Hooper, Monika; Crassous, Jeanne
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.1129 ± 0.0008 Å
• b: 13.0517 ± 0.001 Å
• c: 13.8906 ± 0.0009 Å
• α: 77.079 ± 0.002°
• β: 73.709 ± 0.002°
• γ: 85.307 ± 0.002°
• Cell volume: 1714.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No