Crystallography Open Database

Information card for entry 4309813

Preview

Coordinates	4309813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 Cu N2 O5
Calculated formula	C19 H14 Cu N2 O5
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	10.1579 ± 0.0007 Å
b	10.364 ± 0.0008 Å
c	33.313 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3507.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	C 2 c b
Hall space group symbol	C -2ac 2
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
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.	4309813.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309813.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309813.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).	4309813.cif