Information card for entry 7026803

Structure parameters

• Formula: C12 H23 Cl N4 O4 Pt S
• Calculated formula: C12 H23 Cl N4 O4 Pt S
• SMILES: [Pt]1(OC(=NC(=[NH]1)N1CCOCC1)N1CCOCC1)(Cl)[S](=O)(C)C
• 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: 12.7585 ± 0.0002 Å
• b: 17.3396 ± 0.0005 Å
• c: 8.3188 ± 0.0002 Å
• α: 90°
• β: 108.168 ± 0.002°
• γ: 90°
• Cell volume: 1748.6 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No