Information card for entry 7056800

Structure parameters

• Formula: C56 H50 F6 N2 O4 P2 Pt2
• Calculated formula: C50 H36 F6 N2 O4 P2 Pt2
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Pt]1(c2ccc[n]3c2c2[n]1cccc2[Pt]3(OC(=O)C(F)(F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(F)(F)F
• Title of publication: Simple tuning of the luminescence properties of the double rollover cycloplatinated(ii) structure by halide ligands
• Authors of publication: Paziresh, Sareh; Babadi Aghakhanpour, Reza; Rashidi, Mehdi; Nabavizadeh, S. Masoud
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 1337
• a: 9.3123 ± 0.0019 Å
• b: 10.147 ± 0.002 Å
• c: 16.201 ± 0.003 Å
• α: 83.79 ± 0.03°
• β: 76.06 ± 0.03°
• γ: 67.55 ± 0.03°
• Cell volume: 1373 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No