Crystallography Open Database

Information card for entry 7018178

Preview

Coordinates	7018178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Co N4 S2
Calculated formula	C8 H6 Co N4 S2
Title of publication	Weak ferromagnetism in chiral diamond-like neutral networks: Mn(2-pymS)(2) and Co(2-pymS)(2) (2-pymSH = 2-mercaptopyrimidine).
Authors of publication	Zhang, Jing; Gao, Song; Zhang, Xi-Xiang; Wang, Zhe-Ming; Che, Chi-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	9
Pages of publication	2626 - 2631
a	7.7915 ± 0.0003 Å
b	7.7915 ± 0.0003 Å
c	16.5088 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1002.21 ± 0.08 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	0.874
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
179885 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81.	7018178.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018178.cif
37674	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018177, 7018178, 7018179 via cif-deposit CGI script.	7018178.cif