Crystallography Open Database

Information card for entry 7205525

7205524 << 7205525 >> 7205526

Preview

Coordinates	7205525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Cu3 N6 O9
Calculated formula	C12 H14 Cu3 N6 O9
Title of publication	A robust porous PtS-type Cu(ii) metal‒organic framework: single-crystal-to-single-crystal transformation with reversible guest intercalation accompanied by colour change
Authors of publication	Ling, Yun; Zhang, Lei; Li, Jing; Du, Miao
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	3
Pages of publication	768
a	14.0455 ± 0.0001 Å
b	14.0455 ± 0.0001 Å
c	14.6075 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2881.71 ± 0.05 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	138
Hermann-Mauguin space group symbol	P 42/n c m :2
Hall space group symbol	-P 4ac 2ac
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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
180386 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/55.	7205525.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205525.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205525.cif
14721	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7205525 via cif-deposit CGI script.	7205525.cif