Crystallography Open Database

Information card for entry 7052608

Preview

Coordinates	7052608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H2 Br Cu N
Calculated formula	C2 H2 Br Cu N
Title of publication	Luminescence properties of “double-stranded staircase” copper(i) halide coordination polymers with N-containing ligands
Authors of publication	Pospisil, Jiri; Jess, Inke; Näther, Christian; Necas, Marek; Taborsky, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	4
Pages of publication	861
a	3.9006 ± 0.0004 Å
b	6.928 ± 0.0007 Å
c	7.7307 ± 0.0008 Å
α	107.693 ± 0.009°
β	99.426 ± 0.008°
γ	94.527 ± 0.008°
Cell volume	194.49 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052608.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052608.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052608.cif
21239	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7052608 via cif-deposit CGI script.	7052608.cif