Crystallography Open Database

Information card for entry 4510643

Preview

Coordinates	4510643.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-Poly[diaqua(mu-isophthalato-k2O,O':kO'')(9-methyladenine-kN7)copper(II)]
Formula	C14 H15 Cu N5 O6
Calculated formula	C14 H15 Cu N5 O6
Title of publication	Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks
Authors of publication	Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	3057
a	9.289 ± 0.004 Å
b	10.21 ± 0.005 Å
c	17.241 ± 0.007 Å
α	90°
β	99.938 ± 0.003°
γ	90°
Cell volume	1610.6 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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
179653 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/06.	4510643.cif
113100	2014-05-08	cif/ Adding structures of 4510643, 4510644, 4510645, 4510646, 4510647 via cif-deposit CGI script.	4510643.cif