Information card for entry 1545614

Structure parameters

• Formula: C27 H26 N P Pt
• Calculated formula: C27 H26 N P Pt
• SMILES: [Pt]1(c2ccccc2c2[n]1cccc2)([P](CC=C)(c1ccccc1)c1ccccc1)C
• Title of publication: Photophysical properties of a series of cycloplatinated( <scp>ii</scp> ) complexes featuring allyldiphenylphosphane
• Authors of publication: Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Babaghasabha, Mojgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Notash, Behrouz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3798 - 3810
• a: 9.759 ± 0.002 Å
• b: 10.351 ± 0.002 Å
• c: 23.222 ± 0.005 Å
• α: 90°
• β: 100.86 ± 0.03°
• γ: 90°
• Cell volume: 2303.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No