Crystallography Open Database

Information card for entry 7014786

Preview

Coordinates	7014786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Mn N2 O4 S6
Calculated formula	C20 H14 Mn N2 O4 S6
Title of publication	Metal-carboxylate coordination polymers with redox-active moiety of tetrathiafulvalene (TTF).
Authors of publication	Zhu, Qin-Yu; Wang, Jin-Po; Qin, Yu-Rong; Shi, Zheng; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	9
Pages of publication	1977 - 1983
a	27.153 ± 0.004 Å
b	10.4726 ± 0.0019 Å
c	16.681 ± 0.003 Å
α	90°
β	103.026 ± 0.005°
γ	90°
Cell volume	4621.4 ± 1.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
179851 (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 7/01/47.	7014786.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014786.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014786.cif
14851	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014785, 7014786, 7014787, 7014788 via cif-deposit CGI script.	7014786.cif