Crystallography Open Database

Information card for entry 4308564

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Coordinates	4308564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Cu N2 O4
Calculated formula	C6 H6 Cu N2 O4
Title of publication	Cu(HCO2)2(pym) (pym = pyrimidine): Low-Dimensional Magnetic Behavior and Long-Range Ordering in a Quantum-Spin Lattice
Authors of publication	J. L. Manson; T. Lancaster; L. C. Chapon; S. J. Blundell; J. A. Schlueter; M. L. Brooks; F. L. Pratt; C. L. Nygren; J. S. Qualls
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	989 - 995
a	14.4639 ± 0.0008 Å
b	7.7209 ± 0.0004 Å
c	8.5172 ± 0.0005 Å
α	90°
β	126.076 ± 0.002°
γ	90°
Cell volume	768.76 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	0.87
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
179123 (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 4/30/85.	4308564.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308564.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308564.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).	4308564.cif