Crystallography Open Database

Information card for entry 4309814

Preview

Coordinates	4309814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 Cu N2 O6
Calculated formula	C19 H14 Cu N2 O6
Title of publication	Polymeric Networks of Copper(II) Phenylmalonate with Heteroaromatic N-donor Ligands: Synthesis, Crystal Structure, and Magnetic Properties
Authors of publication	Jorge Pasán; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7794 - 7801
a	9.0837 ± 0.0006 Å
b	9.3514 ± 0.0004 Å
c	11.0831 ± 0.0008 Å
α	90°
β	107.807 ± 0.006°
γ	90°
Cell volume	896.35 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
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
179136 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98.	4309814.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309814.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309814.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309814.cif