Crystallography Open Database

Information card for entry 7217163

Preview

Coordinates	7217163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H36 Cu2 N8 P2 S2
Calculated formula	C46 H36 Cu2 N8 P2 S2
Title of publication	Coordination variability of CuIin multidonor heterocyclic thioamides: synthesis, crystal structures, luminescent properties and ESI-mass studies of complexes
Authors of publication	Lobana, Tarlok S.; Sandhu, Amanpreet K.; Sultana, Razia; Castineiras, Alfonso; Butcher, Ray J.; Jasinski, Jerry P.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	58
Pages of publication	30511
a	12.6132 ± 0.0006 Å
b	12.6674 ± 0.0006 Å
c	17.0373 ± 0.0007 Å
α	88.319 ± 0.003°
β	69.754 ± 0.004°
γ	65.581 ± 0.004°
Cell volume	2304.8 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1583
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7217163.cif
120527	2014-07-17	cif/ Adding structures of 7217161, 7217162, 7217163, 7217164, 7217165, 7217166, 7217167, 7217168 via cif-deposit CGI script.	7217163.cif