Crystallography Open Database

Information card for entry 7112261

Preview

Coordinates	7112261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.2 H20.8 Cu2 N6.4 O8.4
Calculated formula	C23.2 H20.8 Cu2 N6.4 O8.4
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	24.119 ± 0.002 Å
b	10.2056 ± 0.0007 Å
c	10.8193 ± 0.0007 Å
α	90°
β	91.64 ± 0.006°
γ	90°
Cell volume	2662.1 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2582
Weighted residual factors for all reflections included in the refinement	0.2788
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112261.cif
108981	2014-04-07	cif/ Adding structures of 7112261, 7112262 via cif-deposit CGI script.	7112261.cif