Crystallography Open Database

Information card for entry 7046923

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Coordinates	7046923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cr N4 S2
Calculated formula	C14 H12 Cr N4 S2
Title of publication	3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl.
Authors of publication	Shuku, Yoshiaki; Hirai, Yuta; Semenov, Nikolay A.; Kadilenko, Evgeny; Gritsan, Nina P.; Zibarev, Andrey V.; Rakitin, Oleg A.; Awaga, Kunio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	29
Pages of publication	9897 - 9902
a	7.911 ± 0.002 Å
b	7.6175 ± 0.0018 Å
c	11.328 ± 0.003 Å
α	90°
β	98.728 ± 0.003°
γ	90°
Cell volume	674.7 ± 0.3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229172 (current)	2019-11-17	cif/ Updating files of 7046923 Original log message: Adding full bibliography for 7046923.cif.	7046923.cif
208772	2018-07-03	cif/ Adding structures of 7046923 via cif-deposit CGI script.	7046923.cif