Crystallography Open Database

Information card for entry 7112262

Preview

Coordinates	7112262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Cu N5 O6
Calculated formula	C23 H21 Cu N5 O6
Title of publication	Oxygen and methanol mediated irreversible coordination polymer structural transformation from a 3D Cu(I)-framework to a 1D Cu(II)-chain
Authors of publication	Jing-Yuan Ge; Jian-Cheng Wang; Jun-Yan Cheng; Peng Wang; Jian-Ping Ma; Qi-Kui Liu; Yu-Bin Dong
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	4434
a	8.281 ± 0.003 Å
b	15.288 ± 0.006 Å
c	18.093 ± 0.007 Å
α	90°
β	96.566 ± 0.005°
γ	90°
Cell volume	2275.5 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
180236 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/22.	7112262.cif
108981	2014-04-07	cif/ Adding structures of 7112261, 7112262 via cif-deposit CGI script.	7112262.cif