Information card for entry 7240551

Structure parameters

• Formula: C38 H34 Cl4 I2 P2 Pt
• Calculated formula: C38 H34 Cl4 I2 P2 Pt
• SMILES: [Pt](Cl)(Cl)([Cl-])[Cl-].IC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.IC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding
• Authors of publication: Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 18.3265 ± 0.0006 Å
• b: 13.069 ± 0.0003 Å
• c: 18.5735 ± 0.0006 Å
• α: 90°
• β: 119.538 ± 0.004°
• γ: 90°
• Cell volume: 3870.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No