Information card for entry 1549205

Structure parameters

• Formula: C26 H21 Cl N P Pt
• Calculated formula: C26 H21 Cl N P Pt
• SMILES: [Pt]1(Cl)(c2c3c4[n]1cccc4ccc3ccc2)[P](C)(c1ccccc1)c1ccccc1
• 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: 16.0265 ± 0.0005 Å
• b: 18.9031 ± 0.0005 Å
• c: 14.5969 ± 0.0004 Å
• α: 90°
• β: 107.211 ± 0.003°
• γ: 90°
• Cell volume: 4224.1 ± 0.2 ų
• Cell temperature: 293.21 ± 0.1 K
• Ambient diffraction temperature: 293.21 K
• Number of distinct elements: 6
• 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: 0.0223
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No