Crystallography Open Database

Information card for entry 7215282

Preview

Coordinates	7215282.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	JA81
Formula	C2 H5 Br Cu N S
Calculated formula	C2 H5 Br Cu N S
Title of publication	Reversible recrystallization process of copper and silver thioacetamide‒halide coordination polymers and their basic building blocks
Authors of publication	Troyano, J.; Perles, J.; Amo-Ochoa, P.; Martínez, J. I.; Zamora, F.; Delgado, S.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	35
Pages of publication	8224
a	19.9588 ± 0.0008 Å
b	19.9588 ± 0.0008 Å
c	7.6768 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	2648.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	158
Hermann-Mauguin space group symbol	P 3 c 1
Hall space group symbol	P 3 -2"c
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.1004
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180483 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/52.	7215282.cif
123390	2014-09-08	cif/ Updating files of 7215282, 7215283, 7215284, 7215285 Original log message: Adding full bibliography for 7215282--7215285.cif.	7215282.cif
111721	2014-04-26	cif/ Adding structures of 7215282, 7215283, 7215284, 7215285 via cif-deposit CGI script.	7215282.cif