Information card for entry 7044373

Structure parameters

• Formula: C13 H19 Cl I2 N2 Pt
• Calculated formula: C13 H19 Cl I2 N2 Pt
• SMILES: [Pt]12(I)(I)([N](=Cc3c2cc(Cl)cc3)CCC[N]1(C)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: 8.5459 ± 0.0004 Å
• b: 14.1617 ± 0.0007 Å
• c: 14.8385 ± 0.0007 Å
• α: 80.425 ± 0.002°
• β: 76.333 ± 0.002°
• γ: 86.586 ± 0.002°
• Cell volume: 1720.28 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No