Crystallography Open Database

Information card for entry 7209996

7209995 << 7209996 >> 7209997

Preview

Coordinates	7209996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 As2 Br2.43 Cl1.56 N4 S8 Sn2
Calculated formula	C12 H22 As2 Br2.434 Cl1.56 N4 S8 Sn2
Title of publication	Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]
Authors of publication	Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	28
Pages of publication	5594
a	15.1894 ± 0.0004 Å
b	12.7155 ± 0.0003 Å
c	16.4353 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3174.33 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180430 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/99.	7209996.cif
86895	2013-07-12	cif/ Adding structures of 7209995, 7209996 via cif-deposit CGI script.	7209996.cif