Crystallography Open Database

Information card for entry 7037797

Preview

Coordinates	7037797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 Br Cu4 N9
Calculated formula	C5 H6 Br Cu4 N9
Title of publication	A novel 3D Cu(i) coordination polymer based on Cu6Br2 and Cu2(CN)2 SBUs: in situ ligand formation and use as a naked-eye colorimetric sensor for NB and 2-NT.
Authors of publication	Song, Jiang-Feng; Li, Yang; Zhou, Rui-Sha; Hu, Tuo-Ping; Wen, Yan-Liang; Shao, Jia; Cui, Xiao-Bing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	545 - 551
a	13.043 ± 0.003 Å
b	8.1888 ± 0.0016 Å
c	11.148 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1190.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
171870 (current)	2016-01-01	cif/ Adding structures of 7037797 via cif-deposit CGI script.	7037797.cif