Crystallography Open Database

Information card for entry 7058060

Preview

Coordinates	7058060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 N4 P2 Pd S
Calculated formula	C36 H48 N4 P2 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	28.5923 ± 0.0018 Å
b	9.0068 ± 0.0002 Å
c	19.4455 ± 0.0012 Å
α	90°
β	129.889 ± 0.01°
γ	90°
Cell volume	3842.4 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	7058060.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.	7058060.cif