Crystallography Open Database

Information card for entry 7217166

Preview

Coordinates	7217166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H63 Br Cu2 N2 P4 S2
Calculated formula	C76 H63 Br Cu2 N2 P4 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	17.5439 ± 0.0003 Å
b	18.7998 ± 0.0003 Å
c	22.7125 ± 0.0004 Å
α	67.538 ± 0.002°
β	69.421 ± 0.002°
γ	80.742 ± 0.001°
Cell volume	6477.9 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1342
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1722
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
180502 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/71.	7217166.cif
120527	2014-07-17	cif/ Adding structures of 7217161, 7217162, 7217163, 7217164, 7217165, 7217166, 7217167, 7217168 via cif-deposit CGI script.	7217166.cif