Crystallography Open Database

Information card for entry 7061036

Preview

Coordinates	7061036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 Cl2 N3 Pd
Calculated formula	C27 H27 Cl2 N3 Pd
Title of publication	N-Heterocyclic carbene-palladium-PEPPSI complexes and their catalytic activity in the direct C–H bond activation of heteroarene derivatives with aryl bromides: synthesis, and antimicrobial and antioxidant activities
Authors of publication	Hamdi, N.; Slimani, I.; Mansour, L.; Alresheedi, Faisal; Gürbüz, N.; Özdemir, I.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	45
Pages of publication	21248 - 21262
a	9.253 ± 0.0004 Å
b	12.484 ± 0.0006 Å
c	21.9892 ± 0.0009 Å
α	90°
β	93.781 ± 0.003°
γ	90°
Cell volume	2534.54 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0721
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	0.882
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271199 (current)	2021-12-07	cif/ Updating files of 7061036 Original log message: Adding full bibliography for 7061036.cif.	7061036.cif
270286	2021-11-04	cif/ Adding structures of 7061036 via cif-deposit CGI script.	7061036.cif