Crystallography Open Database

Information card for entry 7709668

Preview

Coordinates	7709668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 Cl4 N4 P Pd
Calculated formula	C26 H21 Cl4 N4 P Pd
SMILES	[Pd]1(Cl)(Cl)[P](c2ccccc2)(c2n(nnc2c2[n]1cccc2)c1ccccc1)c1ccccc1.ClCCl
Title of publication	1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies
Authors of publication	Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.8739 ± 0.0004 Å
b	8.6646 ± 0.0003 Å
c	28.187 ± 0.0008 Å
α	90°
β	94.066 ± 0.003°
γ	90°
Cell volume	2649.04 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
273465 (current)	2022-03-06	cif/ Adding structures of 7709662, 7709663, 7709664, 7709665, 7709666, 7709667, 7709668, 7709669, 7709670, 7709671, 7709672, 7709673, 7709674 via cif-deposit CGI script.	7709668.cif