Crystallography Open Database

Information card for entry 7043453

Preview

Coordinates	7043453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H11 Cl N3 O3 Re S4
Calculated formula	C22 H11 Cl N3 O3 Re S4
Title of publication	Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives
Authors of publication	Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa
Journal of publication	Dalton Trans.
Year of publication	2017
a	16.41 ± 0.0005 Å
b	10.5443 ± 0.0003 Å
c	28.294 ± 0.0009 Å
α	90°
β	92.541 ± 0.003°
γ	90°
Cell volume	4891 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
198186 (current)	2017-06-28	cif/ Adding structures of 7043448, 7043449, 7043450, 7043451, 7043452, 7043453 via cif-deposit CGI script.	7043453.cif