Crystallography Open Database

Information card for entry 2203316

2203315 << 2203316 >> 2203317

Preview

Coordinates	2203316.cif
Original paper (by DOI)	HTML
External links	AMCSD

Structure parameters

Common name	mercuric hydroxide chlorate
Chemical name	mercury(II) hydroxide chlorate(V)
Formula	Cl H Hg O4
Calculated formula	Cl H Hg O4
SMILES	[Hg]([OH][Hg])O.Cl(=O)(=O)[O-].Cl(=O)(=O)[O-]
Title of publication	Redetermination of mercury(II) hydroxide chlorate(V)
Authors of publication	Göbbels, Dirk; Wickleder, Mathias S.
Journal of publication	Acta Crystallographica, Section E
Year of publication	2004
Journal volume	60
Journal issue	3
Pages of publication	i40 - i41
a	4.6375 ± 0.0006 Å
b	11.4064 ± 0.0019 Å
c	7.1965 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	380.67 ± 0.1 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0406
Weighted residual factors for all reflections included in the refinement	0.0427
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
282068 (current)	2023-03-26	cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop.	2203316.cif
282053	2023-03-24	cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs.	2203316.cif
277836	2022-09-14	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	2203316.cif
277835	2022-09-14	cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines.	2203316.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2203316.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2203316.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.	2203316.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.	2203316.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.	2203316.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2203316.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.	2203316.cif
5	2008-01-03	Adding 507 CIF files deposited into COD today, on 2008.01.03.	2203316.cif