Crystallography Open Database

Information card for entry 4306980

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Coordinates	4306980.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-tetrakis(N,N'-pyrimidin-2-olate)-biscopper(ii)-tallium nitrate- -methanol solvate
Formula	C8.5 H8 Cu N4.5 O4 Tl0.5
Calculated formula	C8.5 H6 Cu N4.408 O3.724 Tl0.408
Title of publication	Structural and Magnetic Properties of Layered Copper(II) Coordination Polymers Intercalating s and f Metal Ions
Authors of publication	Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2988 - 2997
a	19.044 ± 0.002 Å
b	11.037 ± 0.001 Å
c	11.451 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2406.9 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n a m
Hall space group symbol	-P 2c 2n
Residual factor for all reflections	0.1019
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
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.	4306980.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306980.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306980.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4306980.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306980.cif