Information card for entry 7026801

Structure parameters

• Formula: C16 H44 Cl6 N8 O6 Pt3 S2
• Calculated formula: C16 H44 Cl6 N8 O6 Pt3 S2
• SMILES: C1(=[NH][Pt]2([NH]=C(O1)N(C)C)[NH]=C(N(C)C)OC(=[NH]2)N(C)C)N(C)C.C[S](C)(=O)[Pt](Cl)(Cl)Cl.O.C[S](C)(=O)[Pt](Cl)(Cl)Cl.O
• 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: 6.4936 ± 0.0001 Å
• b: 25.2769 ± 0.0004 Å
• c: 11.1728 ± 0.0002 Å
• α: 90°
• β: 103.367 ± 0.001°
• γ: 90°
• Cell volume: 1784.2 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No