Crystallography Open Database

Information card for entry 7012857

Preview

Coordinates	7012857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H106 Cu5 N20 O54 W12
Calculated formula	C20 H106 Cu5 N20 O54 W12
Title of publication	A new polymeric chain formed by paradodecatungstate clusters and [Cu(en)2]2+ complexes: hydrothermal synthesis and characterization of [Cu(en)2]3[{Cu(en)2}2(H2W12O42)]�12H2OElectronic supplementary information (ESI) available: thermal variations of the magnetic susceptibility of compound 1. See http://www.rsc.org/suppdata/dt/b3/b301917a/
Authors of publication	Lin, Bi-Zhou; Chen, Yan-Min; Liu, Pei-De
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	12
Pages of publication	2474
a	12.1989 ± 0.0007 Å
b	14.0042 ± 0.0008 Å
c	14.7254 ± 0.0009 Å
α	62.144 ± 0.001°
β	67.294 ± 0.003°
γ	77.875 ± 0.002°
Cell volume	2050.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179832 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/28.	7012857.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012857.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012857.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.	7012857.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012857.cif