Crystallography Open Database

Information card for entry 7021436

Preview

Coordinates	7021436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Mn N4 O8 S
Calculated formula	C10 H16 Mn N4 O8 S
Title of publication	Two acentric (6, 3) topological 2-D frameworks with imidazole-containing tripodal ligand and their ferroelectric properties.
Authors of publication	Tang, Yun-Zhi; Yu, Yin-Mei; Tan, Yu-Hui; Wu, Ji-Si; Xiong, Jian-Bo; Wen, He-Rui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	28
Pages of publication	10106 - 10111
a	23.8731 ± 0.0005 Å
b	23.8731 ± 0.0005 Å
c	13.8236 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	6822.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179919 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14.	7021436.cif
86940	2013-07-12	cif/ Adding structures of 7021435, 7021436 via cif-deposit CGI script.	7021436.cif