Information card for entry 7118188

Structure parameters

• Formula: C33 H35 Cl2 I N4 O Pd
• Calculated formula: C33 H35 Cl2 I N4 O Pd
• SMILES: [Pd]123(I)(N(c4c(C1=Nc1c2cccc1)cccc4)C=O)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C.C(Cl)Cl
• Title of publication: A new type of oxidative addition of an iodoarene to a Pd(ii) complex.
• Authors of publication: Vicente-Hernández, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 594 - 596
• a: 10.7622 ± 0.0011 Å
• b: 12.8238 ± 0.0012 Å
• c: 13.4282 ± 0.0012 Å
• α: 114.432 ± 0.003°
• β: 100.558 ± 0.003°
• γ: 93.044 ± 0.003°
• Cell volume: 1641.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No