Crystallography Open Database

Information card for entry 7710177

Preview

Coordinates	7710177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 Cl N2 P Pd
Calculated formula	C33 H34 Cl N2 P Pd
SMILES	[Pd]12(c3c(C[P]1(c1ccccc1)c1ccccc1)cccc3C1=[N]2[C@H](CN1c1ccc(cc1)C)C(C)(C)C)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	10.2862 ± 0.0005 Å
b	12.1285 ± 0.0004 Å
c	12.6954 ± 0.0005 Å
α	90°
β	111.54 ± 0.005°
γ	90°
Cell volume	1473.22 ± 0.12 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 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	0.038
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7710177.cif