Information card for entry 4069355

Structure parameters

• Formula: C16 H17 Br N2 O7 Pt
• Calculated formula: C16 H17 Br N2 O7 Pt
• SMILES: Br[Pt]123([CH]4=[CH]2C2CC4[CH]1=[CH]32)c1c(N(=O)=O)c(OC)c(OC)c(OC)c1N(=O)=O
• 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: 6.6672 ± 0.0004 Å
• b: 10.1737 ± 0.0008 Å
• c: 14.2564 ± 0.0011 Å
• α: 90°
• β: 101.119 ± 0.004°
• γ: 90°
• Cell volume: 948.86 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No