Crystallography Open Database

Information card for entry 4510644

Preview

Coordinates	4510644.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly[(mu-isophthalato-k2O,O':k2O'',O''')(mu-9-methyladenine-kN1:kN7)copper(II)]
Formula	C14 H11 Cu N5 O4
Calculated formula	C14 H4 Cu N5 O4
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	16.628 ± 0.0004 Å
b	16.628 ± 0.0004 Å
c	11.049 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3054.94 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.142
Residual factor for significantly intense reflections	0.1286
Weighted residual factors for significantly intense reflections	0.2582
Weighted residual factors for all reflections included in the refinement	0.2662
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4510644.cif
113100	2014-05-08	cif/ Adding structures of 4510643, 4510644, 4510645, 4510646, 4510647 via cif-deposit CGI script.	4510644.cif