Crystallography Open Database

Information card for entry 7200497

7200496 << 7200497 >> 7200498

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Coordinates	7200497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cu N6 O8 S6
Calculated formula	C30 H24 Cu N6 O8 S6
Title of publication	From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand
Authors of publication	Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	817 - 826
a	20.144 ± 0.002 Å
b	16.6614 ± 0.0017 Å
c	10.5603 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3544.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.1314
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	0.774
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
218472 (current)	2019-09-18	cif/7/20/04/ Replaced the incorrect bibliographical reference to the original publication with a proper one in entries 7200495-7200498.	7200497.cif
180335	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/04.	7200497.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200497.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200497.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.	7200497.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200497.cif