Information card for entry 7029935

Structure parameters

• Formula: C6 H10 Cl4 N2 Pt
• Calculated formula: C6 H10 Cl4 N2 Pt
• SMILES: C(CC)#[N][Pt]([N]#CCC)(Cl)(Cl)(Cl)Cl
• Title of publication: Reactions of platinum(IV)-bound nitriles with isomeric nitroanilines: addition vs. substitution.
• Authors of publication: Chernyshev, Alexander N.; Bokach, Nadezhda A.; Gushchin, Pavel V.; Haukka, Matti; Kukushkin, Vadim Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12857 - 12864
• a: 5.9682 ± 0.0002 Å
• b: 8.8714 ± 0.0005 Å
• c: 11.9058 ± 0.0006 Å
• α: 90°
• β: 103.931 ± 0.003°
• γ: 90°
• Cell volume: 611.83 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No