Crystallography Open Database

Information card for entry 4038981

Preview

Coordinates	4038981.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	FG581
Formula	C19 H26 Cl4 N P Pd
Calculated formula	C19 H26 Cl4 N P Pd
SMILES	[C@@H]1([C@@H](C)[N](C)(C)[Pd]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)C.C(Cl)Cl
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	8.6699 ± 0.0003 Å
b	13.3643 ± 0.0005 Å
c	20.1262 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2331.97 ± 0.15 Å³
Cell temperature	293 ± 0.1 K
Ambient diffraction temperature	293 ± 0.1 K
Number of distinct elements	6
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	0.0208
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
272287 (current)	2022-01-27	cif/ Adding structures of 4038979, 4038980, 4038981 via cif-deposit CGI script.	4038981.cif