Crystallography Open Database

Information card for entry 7025519

Preview

Coordinates	7025519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H24 Ag I N6 S3
Calculated formula	C9 H24 Ag I N6 S3
SMILES	[Ag](I)([S]=C(N)NCC)([S]=C(N)NCC)[S]=C(N)NCC
Title of publication	Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas.
Authors of publication	Bowmaker, Graham A.; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.; White, Allan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	18
Pages of publication	4391 - 4404
a	7.2473 ± 0.0003 Å
b	16.18 ± 0.0009 Å
c	16.4537 ± 0.0009 Å
α	90°
β	95.984 ± 0.005°
γ	90°
Cell volume	1918.87 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0404
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	0.925
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7025519.cif
93090	2014-01-12	cif/ Adding structures of 7025514, 7025515, 7025516, 7025517, 7025518, 7025519, 7025520, 7025521, 7025522, 7025523, 7025524, 7025525 via cif-deposit CGI script.	7025519.cif