Crystallography Open Database

Information card for entry 4331745

Preview

Coordinates	4331745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 Cu N5
Calculated formula	C6 H4 Cu N5
Title of publication	Two-Dimensional Copper(I) Coordination Polymer Materials as Photocatalysts for the Degradation of Organic Dyes
Authors of publication	Tian Wen; De-Xiang Zhang; Jian Zhang
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12 - 14
a	5.8132 ± 0.0004 Å
b	7.9619 ± 0.0012 Å
c	8.2074 ± 0.0009 Å
α	67.801 ± 0.012°
β	74.775 ± 0.007°
γ	83.256 ± 0.008°
Cell volume	339.3 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1568
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.196
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
179420 (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 4/33/17.	4331745.cif
97854	2014-01-29	cif/ Adding structures of 4331745 via cif-deposit CGI script.	4331745.cif