Information card for entry 4038980

Structure parameters

• Common name: CSZS355
• Formula: C19 H26 Cl2 N P Pd
• Calculated formula: C19 H26 Cl2 N P Pd
• SMILES: [C@H]1([C@@H](C)[NH](C(C)C)[Pd]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)C
• Title of publication: Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets
• Authors of publication: Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely
• Journal of publication: Journal of Organometallic Chemistry
• Year of publication: 2020
• Journal volume: 921
• Pages of publication: 121332
• a: 11.2972 ± 0.0005 Å
• b: 16.7556 ± 0.0007 Å
• c: 11.4331 ± 0.0005 Å
• α: 90°
• β: 92.288 ± 0.002°
• γ: 90°
• Cell volume: 2162.46 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No