Crystallography Open Database

Information card for entry 4503810

Preview

Coordinates	4503810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H9 Cu N2 O5
Calculated formula	C5 H9 Cu N2 O5
Title of publication	Multicopper(II) Pyromellitate Compounds: Self-Assembly Synthesis, Structural Topologies, and Magnetic Features
Authors of publication	Karabach, Yauhen Y.; Kirillov, Alexander M.; Haukka, Matti; Sanchiz, Joaquin; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	11
Pages of publication	4100
a	7.2921 ± 0.0006 Å
b	7.5161 ± 0.0007 Å
c	7.6282 ± 0.0005 Å
α	88.9 ± 0.005°
β	78.627 ± 0.006°
γ	80.188 ± 0.004°
Cell volume	403.84 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179573 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/38.	4503810.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503810.cif
41783	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503810, 4503811, 4503812 via cif-deposit CGI script.	4503810.cif