Information card for entry 4069357

Structure parameters

• Formula: C11 H12 Br N3 O7 Pt
• Calculated formula: C11 H12 Br N3 O7 Pt
• SMILES: [Pt]1(c2c(N(=[O]1)=O)c(OC)c(OC)c(OC)c2N(=O)=O)(Br)[N]#CC
• Title of publication: Mono(2,6-dinitroaryl)platinum(II) and Mono- and Bis(2,6-dinitroaryl)platinum(IV) Complexes
• Authors of publication: Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3501
• a: 7.8089 ± 0.0011 Å
• b: 12.0507 ± 0.0014 Å
• c: 16.434 ± 0.002 Å
• α: 90°
• β: 97.118 ± 0.01°
• γ: 90°
• Cell volume: 1534.6 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No