Information card for entry 4074762

Structure parameters

• Formula: C23 H22 N3 O8 Pt
• Calculated formula: C23 H25 N3 O8 Pt
• SMILES: [Pt]1(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)(=C1N(c2c(cccc2)N1C)C)[N]#CC
• Title of publication: Hydrosilylation of Alkynes Mediated byN-Heterocyclic Carbene Platinum(0) Complexes
• Authors of publication: De Bo, Guillaume; Berthon-Gelloz, Guillaume; Tinant, Bernard; Markó, István E.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1881
• a: 8.729 ± 0.003 Å
• b: 13.211 ± 0.004 Å
• c: 22.132 ± 0.006 Å
• α: 90°
• β: 95.75 ± 0.02°
• γ: 90°
• Cell volume: 2539.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No