Crystallography Open Database

Information card for entry 7062188

Preview

Coordinates	7062188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 Cl N O P Pd
Calculated formula	C28 H25 Cl N O P Pd
SMILES	[Pd]12([N](=C(c3c(O2)cccc3)c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1)Cl
Title of publication	Palladium(ii)-complexes of bi- and tri-dentate phosphine ligands: precursor for palladium–phosphorous nanoparticles and activity towards Suzuki–Miyaura coupling
Authors of publication	Rao, Gyandshwar Kumar; Dutta, Anirban; Yadav, Nisha; Oswal, Preeti; Kumar, Arun; Singh, Ajai K.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	9
Pages of publication	4218 - 4227
a	12.606 ± 0.003 Å
b	8.4228 ± 0.0019 Å
c	22.777 ± 0.005 Å
α	90°
β	96.878 ± 0.005°
γ	90°
Cell volume	2401 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	0.9431
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
298328 (current)	2025-03-07	cif/7: Fixing Z values and formulae	7062188.cif
281534	2023-03-04	cif/ Updating files of 7062187, 7062188 Original log message: Adding full bibliography for 7062187--7062188.cif.	7062188.cif
280116	2023-01-05	cif/ Adding structures of 7062187, 7062188 via cif-deposit CGI script.	7062188.cif