Crystallography Open Database

Information card for entry 7018179

Preview

Coordinates	7018179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Mn2 N8 S4
Calculated formula	C16 H12 Mn2 N8 S4
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	7.8413 ± 0.0005 Å
b	17.1764 ± 0.001 Å
c	7.8467 ± 0.0005 Å
α	90°
β	96.034 ± 0.001°
γ	90°
Cell volume	1050.98 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7018179.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018179.cif
37674	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018177, 7018178, 7018179 via cif-deposit CGI script.	7018179.cif