Crystallography Open Database

Information card for entry 2203275

2203274 << 2203275 >> 2203276

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Coordinates	2203275.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Hexaaquacopper(II) diperchlorate dihydrate
Formula	Cl2 Cu H16 O16
Calculated formula	Cl2 Cu H16 O16
SMILES	[O-]Cl(=O)(=O)=O.[OH2][Cu]([OH2])([OH2])([OH2])([OH2])[OH2].O.[O-]Cl(=O)(=O)=O.O
Title of publication	Hexaaquacopper(II) diperchlorate dihydrate
Authors of publication	Xin-Hua Li; Feng-Yi Xia; Hong-Ping Xiao; Mao-Lin Hu
Journal of publication	Acta Crystallographica, Section E
Year of publication	2004
Journal volume	60
Journal issue	3
Pages of publication	i31 - i32
a	6.2908 ± 0.0003 Å
b	12.4043 ± 0.0006 Å
c	9.2181 ± 0.0005 Å
α	90°
β	106.146 ± 0.002°
γ	90°
Cell volume	690.94 ± 0.06 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.171
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
176774 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20.	2203275.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2203275.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2203275.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	2203275.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2203275.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	2203275.cif
321	2008-03-30	Changing the COD CIF files header (comments) in all files that were recently deposited from the IUCr autodownloaded sources to the text agreed with IUCr.	2203275.cif
30	2008-01-27	Adding the reprocessed files from my first COD deposition. Reprocessing with the new cif-tools scripts removed missing tags and added Acta Cryst. Coeditor codes into those files where the corresponding CIF tag was present. Not all reprocessed files were changed. Alsin two entries, cif/8/8000061.cif and cif/8/8000065.cif, were removed manually, both from the CIF file directory and from the cif2cod.txt file, since these two files were detected to be duplicates.	2203275.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2203275.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	2203275.cif
5	2008-01-03	Adding 507 CIF files deposited into COD today, on 2008.01.03.	2203275.cif