Information card for entry 4087268

Structure parameters

• Formula: C21 H26 N O2 P Pt S2
• Calculated formula: C21 H26 N O2 P Pt S2
• SMILES: [Pt]12(c3cccc4c3c3[n]2cccc3cc4)[S]=P(S1)(OCCCC)OCCCC
• Title of publication: Cyclometalated Platinum(II) Complexes Bearing Bidentate O,O′-Di(alkyl)dithiophosphate Ligands: Photoluminescence and Cytotoxic Properties
• Authors of publication: Fereidoonnezhad, Masood; Kaboudin, Babak; Mirzaee, Tabassom; Babadi Aghakhanpour, Reza; Golbon Haghighi, Mohsen; Faghih, Zeinab; Faghih, Zahra; Ahmadipour, Zohreh; Notash, Behrouz; Shahsavari, Hamid R.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1707
• a: 10.882 ± 0.002 Å
• b: 11.518 ± 0.002 Å
• c: 18.126 ± 0.004 Å
• α: 90°
• β: 93.86 ± 0.03°
• γ: 90°
• Cell volume: 2266.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1267
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No