Information card for entry 1552113

Structure parameters

• Chemical name: Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate
• Formula: C22 H26 Br2 Cl2 N4 O Pd
• Calculated formula: C22 H26 Br2 Cl2 N4 O Pd
• SMILES: Br[Pd]1(=C2N(c3cccc[n]13)C=CN2[C@@H](Cc1ccccc1)C(=O)N(CC)CC)Br.C(Cl)Cl
• Title of publication: Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate
• Authors of publication: Liu, Qilin; Mao, Pu; Yuan, Jinwei; Xiao, Yongmei; Yang, Liangru
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 7
• Pages of publication: x190899
• a: 17.667 ± 0.0004 Å
• b: 12.8871 ± 0.0003 Å
• c: 11.7476 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2674.65 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes