Crystallography Open Database

Information card for entry 4509992

Preview

Coordinates	4509992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H52 Mn2 N12 S9 Sb4
Calculated formula	C16 H52 Mn2 N12 S9 Sb4
Title of publication	[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers
Authors of publication	Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	101
a	11.6991 ± 0.0007 Å
b	11.1853 ± 0.0007 Å
c	32.2459 ± 0.0019 Å
α	90°
β	95.566 ± 0.001°
γ	90°
Cell volume	4199.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0696
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509992.cif
104159	2014-03-10	cif/ Adding structures of 4509990, 4509991, 4509992 via cif-deposit CGI script.	4509992.cif