Crystallography Open Database

Information card for entry 7209995

7209994 << 7209995 >> 7209996

Preview

Coordinates	7209995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl10 Cr14 H97 N29 O5 S16
Calculated formula	Cl10 Cr14 H97 N29 O5 S16
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	17.7748 ± 0.0005 Å
b	10.7982 ± 0.0003 Å
c	19.9149 ± 0.0005 Å
α	90°
β	106.716 ± 0.003°
γ	90°
Cell volume	3660.86 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0482
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	7209995.cif
86895	2013-07-12	cif/ Adding structures of 7209995, 7209996 via cif-deposit CGI script.	7209995.cif