Crystallography Open Database

Information card for entry 7058061

Preview

Coordinates	7058061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 Cl3 N7 P Pd S
Calculated formula	C30 H41 Cl3 N7 P Pd S
Title of publication	Syntheses and structural aspects of six-membered palladacyclic complexes derived from N,N′,N′′-triarylguanidines with N- or S-thiocyanate ligands
Authors of publication	Saxena, Priya; Thomas, Jisha Mary; Sivasankar, Chinnappan; Thirupathi, Natesan
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	5
Pages of publication	2307
a	11.6013 ± 0.0005 Å
b	12.855 ± 0.0006 Å
c	13.2434 ± 0.0007 Å
α	110.543 ± 0.004°
β	98.363 ± 0.004°
γ	96.758 ± 0.003°
Cell volume	1799.19 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
224772 (current)	2019-11-08	cif/ Updating files of 7058049, 7058050, 7058051, 7058052, 7058053, 7058054, 7058055, 7058056, 7058057, 7058058, 7058059, 7058060, 7058061 Original log message: Adding full bibliography for 7058049--7058061.cif.	7058061.cif
212604	2018-12-15	cif/ Adding structures of 7058049, 7058050, 7058051, 7058052, 7058053, 7058054, 7058055, 7058056, 7058057, 7058058, 7058059, 7058060, 7058061 via cif-deposit CGI script.	7058061.cif