Information card for entry 1549207

Structure parameters

• Formula: C33 H28 N P Pt
• Calculated formula: C33 H28 N P Pt
• SMILES: [Pt]1(c2cccc3ccc4ccc[n]1c4c23)([P](c1ccccc1)(c1ccccc1)C)c1ccc(C)cc1
• Title of publication: Influence of ancillary ligands on the photophysical properties of cyclometalated organoplatinum(ii) complexes
• Authors of publication: Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Pfitzner, Arno; Rashidi, Mehdi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 8661
• a: 10.8827 ± 0.0003 Å
• b: 11.0853 ± 0.0004 Å
• c: 11.3916 ± 0.0002 Å
• α: 95.334 ± 0.002°
• β: 100.076 ± 0.0018°
• γ: 99.549 ± 0.002°
• Cell volume: 1323.75 ± 0.07 ų
• Cell temperature: 122.99 ± 0.1 K
• Ambient diffraction temperature: 122.99 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: 0.0208
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No