Information card for entry 7044374

Structure parameters

• Formula: C12 H16 Cl2 I2 N2 Pt
• Calculated formula: C12 H16 Cl2 I2 N2 Pt
• SMILES: [Pt]12(I)(I)(Cl)[N](=Cc3c2cc(Cl)cc3)CCC[N]1(C)C
• 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: 16.6399 ± 0.0007 Å
• b: 7.3056 ± 0.0003 Å
• c: 14.1494 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1720.06 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No