Information card for entry 4075606

Structure parameters

• Formula: C20 H24 N4 O15 Pt S
• Calculated formula: C20 H24 N4 O15 Pt S
• SMILES: [Pt]1(c2c(N(=[O]1)=O)c(c(c(c2N(=O)=O)OC)OC)OC)([S](C)(C)=O)c1c(c(c(c(c1N(=O)=O)OC)OC)OC)N(=O)=O
• Title of publication: Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†
• Authors of publication: Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 4247
• a: 9.3407 ± 0.0008 Å
• b: 34.741 ± 0.003 Å
• c: 8.6 ± 0.0006 Å
• α: 90°
• β: 103.794 ± 0.003°
• γ: 90°
• Cell volume: 2710.3 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No