Crystallography Open Database

Information card for entry 4320386

4320385 << 4320386 >> 4320387

Preview

Coordinates	4320386.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(mu-oxalato)-bis(3-aminopyridine)-copper(II)-water (1/1.5)
Formula	C12 H15 Cu N4 O5.5
Calculated formula	C12 H12 Cu N4 O5.5
Title of publication	Syntheses, Crystal Structures, and Magnetic Properties of One-Dimensional Oxalato-Bridged Co(II), Ni(II), and Cu(II) Complexes withn-Aminopyridine (n= 2-4) as Terminal Ligand
Authors of publication	Oscar Castillo; Antonio Luque; Pascual Román; Francesc Lloret; Miguel Julve
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5526 - 5535
a	12.387 ± 0.001 Å
b	12.935 ± 0.003 Å
c	18.632 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2985.3 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P c n n
Hall space group symbol	-P 2ab 2c
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for all reflections	0.1968
Weighted residual factors for significantly intense reflections	0.193
Goodness-of-fit parameter for all reflections	1.216
Goodness-of-fit parameter for significantly intense reflections	1.303
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4320386.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320386.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320386.cif
17294	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320386 via cif-deposit CGI script.	4320386.cif