Information card for entry 1567672

Structure parameters

• Formula: C37 H40 Cl N2 Pd
• Calculated formula: C37 H40 Cl N2 Pd
• SMILES: C1(N(C=C2C=CC=C(c3c(cc(cc3C)C)C)N12)c1c(cccc1C(C)C)C(C)C)=[Pd]12(C[CH]1=[CH]2c1ccccc1)Cl
• Title of publication: Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands
• Authors of publication: Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 6581 - 6589
• a: 22.26 ± 0.008 Å
• b: 14.479 ± 0.006 Å
• c: 22.541 ± 0.008 Å
• α: 90°
• β: 106.1 ± 0.04°
• γ: 90°
• Cell volume: 6980 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.4374
• Residual factor for significantly intense reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.2642
• Weighted residual factors for all reflections included in the refinement: 0.3906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No