Information card for entry 7118511

Structure parameters

• Formula: C42 H37 Cl3 N2 Pt
• Calculated formula: C42 H37 Cl3 N2 Pt
• SMILES: [Pt]12(Cl)([n]3c(c4c1cc1c5ccccc5C(c1c4)(C)C)cccc3)([n]1c(c3c2cc2c4ccccc4C(c2c3)(C)C)cccc1)C.C(Cl)Cl
• 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: 13.9571 ± 0.0006 Å
• b: 14.1969 ± 0.0006 Å
• c: 18.5023 ± 0.0008 Å
• α: 90°
• β: 102.735 ± 0.0015°
• γ: 90°
• Cell volume: 3576 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0218
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No