Information card for entry 4346544

Structure parameters

• Formula: C33 H29 F6 N5 P2 Pt S
• Calculated formula: C33 H29 F6 N5 P2 Pt S
• SMILES: [Pt]1(=C2N(C=CN2C)c2c1cc(cc2)C#N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C1NC=CN1C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Exploring the Transphobia Effect on Heteroleptic NHC Cycloplatinated Complexes.
• Authors of publication: Fuertes, Sara; Chueca, Andrés J; Sicilia, Violeta
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 9885 - 9895
• a: 20.129 ± 0.005 Å
• b: 10.058 ± 0.005 Å
• c: 16.558 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.479 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3316 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No