Information card for entry 7036086

Structure parameters

• Formula: C34 H27 N O2 Pt
• Calculated formula: C34 H27 N O2 Pt
• SMILES: [Pt]12(c3c(C=[N]1c1ccc(cc1)CC)c1c4c(c3)c3c5c(c4ccc1)cccc5ccc3)OC(=CC(=[O]2)C)C
• Title of publication: Higher fluorescence in platinum(iv) orthometallated complexes of perylene imine compared with their platinum(ii) or palladium(ii) analogues.
• Authors of publication: Expósito, J Emilio; Álvarez-Paíno, Marta; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16164 - 16176
• a: 10.941 ± 0.003 Å
• b: 11.036 ± 0.003 Å
• c: 12.736 ± 0.003 Å
• α: 88.821 ± 0.004°
• β: 73.295 ± 0.003°
• γ: 60.986 ± 0.003°
• Cell volume: 1275 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.046
• 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