Information card for entry 4118851

Structure parameters

• Formula: C21 H25 Cl4 N6 O2 Pt
• Calculated formula: C21 H25 Cl4 N6 O2 Pt
• SMILES: [Pt]12([n]3n(c4c2c(n2[n]1ccc2)ccc4)ccc3)C1=N(=O)C(C([N]1=O)(C)C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion
• Authors of publication: Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17866 - 17868
• a: 8.97 ± 0.0018 Å
• b: 18.36 ± 0.004 Å
• c: 15.8 ± 0.003 Å
• α: 90°
• β: 91.34 ± 0.005°
• γ: 90°
• Cell volume: 2601.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No