Crystallography Open Database

Information card for entry 4307089

Preview

Coordinates	4307089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H5 Cu N3 O5
Calculated formula	C5 H5 Cu N3 O5
Title of publication	Characterization of the Crystal and Magnetic Structures of the Mixed-Anion Coordination Polymer Cu(HCO2)(NO3)(pyz) {pyz = Pyrazine} by X-ray Diffraction, ac Magnetic Susceptibility, dc Magnetization, Muon-Spin Relaxation, and Spin Dimer Analysis
Authors of publication	J. L. Manson; T. Lancaster; J. A. Schlueter; S. J. Blundell; M. L. Brooks; F. L. Pratt; C. L. Nygren; H.-J. Koo; D. Dai; M.-H. Whangbo
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	213 - 220
a	7.7001 ± 0.0017 Å
b	6.7769 ± 0.0015 Å
c	14.851 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	775 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179108 (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 4/30/70.	4307089.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307089.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307089.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307089.cif