Information card for entry 7044372

Structure parameters

• Formula: C12 H16 Cl I N2 Pt
• Calculated formula: C12 H16 Cl I N2 Pt
• SMILES: [Pt]12(c3c(C=[N]1CCC[N]2(C)C)ccc(Cl)c3)I
• Title of publication: Synthesis, characterisation and biological activity of new cyclometallated platinum(IV) iodido complexes
• Authors of publication: Bauer, Emma; Domingo, Xavier; Balcells, Cristina; Polat, Ibrahim; Crespo, Margarita; Quirante, Josefina; Badia, Josefa; Baldomà, Laura; Font-Bardia, Merce; Cascante, Marta
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.4203 ± 0.0004 Å
• b: 19.0185 ± 0.0011 Å
• c: 9.2913 ± 0.0005 Å
• α: 90°
• β: 109.344 ± 0.002°
• γ: 90°
• Cell volume: 1403.92 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No