Information card for entry 4068050

Structure parameters

• Formula: C19 H22 Br Cl2 N3 Pd
• Calculated formula: C19 H22 Br Cl2 N3 Pd
• SMILES: [Pd]1(=C2N(c3c(C)cc(C)cc3C)C=CN2c2[n]1cccc2)(Br)C.C(Cl)Cl
• Title of publication: Palladium Carbene Complexes for Selective Alkene Di- and Oligomerization
• Authors of publication: Khlebnikov, Vsevolod; Meduri, Angelo; Mueller-Bunz, Helge; Montini, Tiziano; Fornasiero, Paolo; Zangrando, Ennio; Milani, Barbara; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 976
• a: 7.7554 ± 0.0002 Å
• b: 9.2465 ± 0.0003 Å
• c: 15.3961 ± 0.0005 Å
• α: 75.065 ± 0.003°
• β: 79.798 ± 0.002°
• γ: 88.517 ± 0.002°
• Cell volume: 1049.67 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No