Crystallography Open Database

Information card for entry 7710179

Preview

Coordinates	7710179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H32 Cl N2 O P Pd
Calculated formula	C41 H32 Cl N2 O P Pd
SMILES	[Pd]12(c3c(cccc3C3=[N]2[C@H]([C@@H](N3C(=O)c2ccccc2)c2ccccc2)c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)Cl
Title of publication	Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine
Authors of publication	Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.34262 ± 0.00012 Å
b	14.76131 ± 0.00019 Å
c	24.6818 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3403.85 ± 0.07 Å³
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	0.0382
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274859 (current)	2022-05-04	cif/ Adding structures of 7710177, 7710178, 7710179, 7710180 via cif-deposit CGI script.	7710179.cif