Crystallography Open Database

Information card for entry 4300890

Preview

Coordinates	4300890.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-501
Formula	C16 H6 Co2 O13
Calculated formula	C16 H6 Co2 O13
Title of publication	Transformation of a Metal‒Organic Framework from the NbO to PtS Net
Authors of publication	Chen, Banglin; Ockwig, Nathan W.; Fronczek, Frank R.; Contreras, Damacio S.; Yaghi, Omar M.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	181 - 183
a	28.7135 ± 0.0006 Å
b	28.7135 ± 0.0006 Å
c	28.7135 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	23673.3 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1522
Residual factor for significantly intense reflections	0.1398
Weighted residual factors for significantly intense reflections	0.3511
Weighted residual factors for all reflections included in the refinement	0.3602
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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
210158 (current)	2018-08-26	cif/4/30/ Updating bibliography in entries 4300890-4300891, 4308364. Marking entry 4308364 as a duplicate of entry 4300891.	4300890.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4300890.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4300890.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300890.cif
32063	2012-01-26	cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct.	4300890.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.	4300890.cif
1522	2010-09-24	cif/4/ Updating the 4300890.cif CIF from the recent Web depositions.	4300890.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.	4300890.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/'	4300890.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300890.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.	4300890.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)	4300890.cif