Crystallography Open Database

Information card for entry 7052698

Preview

Coordinates	7052698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Cu5 K2 N4 O19
Calculated formula	C12 H8 Cu5 K2 N4 O19
Title of publication	A three-dimensional copper(ii) 12-metallacrown-4 complex with malonomonohydroxamic acid (H3mmh) as a ligand
Authors of publication	Lago, Ana B.; Pasán, Jorge; Cañadillas-Delgado, Laura; Fabelo, Oscar; Casado, Francisco J. M.; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	9
Pages of publication	1817
a	20.103 ± 0.004 Å
b	18.97 ± 0.004 Å
c	6.312 ± 0.0013 Å
α	90°
β	105.13 ± 0.03°
γ	90°
Cell volume	2323.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1049
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.26
Weighted residual factors for all reflections included in the refinement	0.2654
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.7513 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052698.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052698.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052698.cif
27482	2011-10-03	../uploads/cif-deposit/cod/cif Adding structures of 7052698 via cif-deposit CGI script.	7052698.cif