Information card for entry 4075604

Structure parameters

• Formula: C39 H39 N4 O15 P Pt
• Calculated formula: C39 H39 N4 O15 P Pt
• SMILES: [Pt]1(c2c(N(=[O]1)=O)c(OC)c(OC)c(OC)c2N(=O)=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(c(OC)c(OC)c(OC)c1N(=O)=O)N(=O)=O.CC(=O)C
• 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: 20.9579 ± 0.0014 Å
• b: 9.4999 ± 0.0006 Å
• c: 22.4791 ± 0.0016 Å
• α: 90°
• β: 115.389 ± 0.003°
• γ: 90°
• Cell volume: 4043.3 ± 0.5 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: 0.0375
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No