Information card for entry 4348297

Structure parameters

• Formula: C23 H18 Br2 Cl2 N2 Pt
• Calculated formula: C23 H18 Br2 Cl2 N2 Pt
• SMILES: [Pt]12([n]3c(c4c1cccc4)cccc3)([n]1c(c3c2cccc3)cccc1)(Br)Br.C(Cl)Cl
• Title of publication: Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.
• Authors of publication: Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7647 - 7660
• a: 12.7573 ± 0.0011 Å
• b: 13.6342 ± 0.0012 Å
• c: 13.0045 ± 0.0011 Å
• α: 90°
• β: 97.128 ± 0.003°
• γ: 90°
• Cell volume: 2244.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No