Crystallography Open Database

Information card for entry 7058059

Preview

Coordinates	7058059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H85 Cl2 N12 O19 P3 Pd3 S3
Calculated formula	C88 H81 Cl2 N12 O19 P3 Pd3 S3
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	10.7843 ± 0.0004 Å
b	19.7675 ± 0.0006 Å
c	23.703 ± 0.0007 Å
α	101.376 ± 0.003°
β	99.035 ± 0.002°
γ	95.764 ± 0.003°
Cell volume	4847 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7058059.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.	7058059.cif