Crystallography Open Database

Information card for entry 7028475

Preview

Coordinates	7028475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H45 As5 Cl In N9 S17
Calculated formula	C9 H45 As5 Cl In N9 S17
Title of publication	(enH2)4.5[In(As(V)S4)3][As2(III)(μ-S2)S3]Cl and (enH2)MnAs(III)As(V)S6: two thioarsenates(iii, v) with mixed-valent optical properties.
Authors of publication	Du, Ke-Zhao; Feng, Mei-Ling; Qi, Xing-Hui; Ma, Zu-Ju; Li, Long-Hua; Li, Jian-Rong; Du, Cheng-Feng; Zou, Guo-Dong; Huang, Xiao-Ying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	7
Pages of publication	2733 - 2736
a	12.2025 ± 0.0003 Å
b	12.224 ± 0.0003 Å
c	14.8497 ± 0.0003 Å
α	92.36 ± 0.002°
β	91.777 ± 0.002°
γ	95.691 ± 0.002°
Cell volume	2200.87 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179990 (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 7/02/84.	7028475.cif
105333	2014-03-12	cif/ Adding structures of 7028475, 7028476 via cif-deposit CGI script.	7028475.cif