Crystallography Open Database

Information card for entry 4331509

Preview

Coordinates	4331509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 Br2 Cu3 N3
Calculated formula	C6 H12 Br2 Cu3 N3
Title of publication	Two Halogeno(cyano)cuprates with Long-Lived and Strong Luminescence
Authors of publication	Liu, Xi; Guo,; Wu, A-Qing; Cai, Li-Zhen; Huang, Jin-Shun
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4282 - 4286
a	8.407 ± 0.003 Å
b	12.569 ± 0.004 Å
c	13.125 ± 0.006 Å
α	90°
β	111.579 ± 0.003°
γ	90°
Cell volume	1289.7 ± 0.9 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0717
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331509.cif
97669	2014-01-29	cif/ Adding structures of 4331509, 4331510 via cif-deposit CGI script.	4331509.cif