Information card for entry 4075612

Structure parameters

• Formula: C37 H33 N4 O15 P Pt
• Calculated formula: C37 H33 N4 O15 P Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O)c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=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: 18.1068 ± 0.0011 Å
• b: 20.7282 ± 0.0013 Å
• c: 20.7627 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7792.7 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No