Information card for entry 7026800

Structure parameters

• Formula: C8 H16 Cl2 N2 O Pt S
• Calculated formula: C8 H16 Cl2 N2 O Pt S
• SMILES: [Pt](Cl)(Cl)([S](=O)(C)C)[N]#CN1CCCCC1
• Title of publication: Push-pull nitrile ligands exhibit specific hydration patterns.
• Authors of publication: Anisimova, Tatyana B.; Bokach, Nadezhda A.; Luzyanin, Konstantin V.; Haukka, Matti; Kukushkin, Vadim Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10790 - 10798
• a: 7.9021 ± 0.0006 Å
• b: 8.3489 ± 0.0005 Å
• c: 9.9116 ± 0.0007 Å
• α: 85.659 ± 0.005°
• β: 87.383 ± 0.007°
• γ: 81.935 ± 0.007°
• Cell volume: 645.17 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No