Information card for entry 4346541

Structure parameters

• Formula: C30 H27 Cl N3 O P Pt
• Calculated formula: C30 H27 Cl N3 O P Pt
• SMILES: [Pt]1(=C2N(c3c1cc(C#N)cc3)C=CN2C)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OC
• 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: 19.0125 ± 0.0003 Å
• b: 7.6921 ± 0.0001 Å
• c: 19.6958 ± 0.0004 Å
• α: 90°
• β: 114.137 ± 0.002°
• γ: 90°
• Cell volume: 2628.6 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No