Information card for entry 7118512

Structure parameters

• Formula: C25 H23 Cl N2 O2 Pt
• Calculated formula: C25 H23 Cl N2 O2 Pt
• SMILES: [Pt]12(Cl)(C)([n]3c(c4c1cc(OC)cc4)cccc3)[n]1c(c3c2cc(OC)cc3)cccc1
• Title of publication: Developing strongly luminescent platinum(iv) complexes: facile synthesis of bis-cyclometalated neutral emitters.
• Authors of publication: Juliá, Fabio; Bautista, Delia; González-Herrero, Pablo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1657 - 1660
• a: 10.0073 ± 0.0006 Å
• b: 21.4773 ± 0.0012 Å
• c: 11.0633 ± 0.0006 Å
• α: 90°
• β: 109.939 ± 0.0019°
• γ: 90°
• Cell volume: 2235.3 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No