Crystallography Open Database

Information card for entry 2000030

2000029 << 2000030 >> 2000031

Preview

Coordinates	2000030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H108 N6 Na6 O18 S26 W6
Calculated formula	C300 H792 N36 Na36 O132 S172 W36
Title of publication	Novel octahedral tungsten sulfidocyanide cluster anion [W~6~S~8~(CN)~6~]^6-^
Authors of publication	Jin, Song; DiSalvo, Francis J.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1586 - 1587
a	26.497 ± 0.003 Å
b	26.497 ± 0.003 Å
c	12.1761 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	7403.42 Å³
Ambient diffraction temperature	165 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0249
Duplicate of	7112141
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
199648 (current)	2017-08-08	cif/2/00/00/ (antanas@echidna.ibt.lt) Updating bibliography in entries 2000002, 2000003, 2000004, 2000005, 2000006, 2000008, 2000009, 2000010, 2000011, 2000012, 2000013, 2000016, 2000018, 2000019, 2000020, 2000021, 2000022, 2000026, 2000028, 2000029, 2000030, 2000049, 2000050, 2000055, 2000056, 2000057.	2000030.cif
176759	2016-02-19	cif/2/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/00.	2000030.cif
106742	2014-03-15	cod/ (saulius@kolibris) Adding two structures from the supplementary data of the DOI: 10.1039/B104161B paper. Since an existing entry, 2000030.cif, contained structure apparently from the same paper, but with slightly different coordinates, the data were deposited anew and the entry 2000030 marked to be a duplicate of 7112141.	2000030.cif
106737	2014-03-15	cif/2/00/00/ (saulius@kolibris) Adding apparently correct DOI to 2000030.cif. However, although cell and other data match exactely the values from the first datablock in the supplementary file, the coordinates are different, so the supplementary material of this paper will have to be redeposited, and the 2000030.cif entry declared as its duplicate.	2000030.cif
106686	2014-03-15	cif/2/00/00/ (saulius@koala.ibt.lt) Removing DOI from 2000030.cif sicne it was apparently incorrect.	2000030.cif
106685	2014-03-15	cif/ (saulius@koala.ibt.lt) Manuallu adding DOIs fro entries 1100269 and 2000030.	2000030.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2000030.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.	2000030.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.	2000030.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	2000030.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2000030.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.	2000030.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	2000030.cif