Crystallography Open Database

Information card for entry 4312047

4312046 << 4312047 >> 4312048

Preview

Coordinates	4312047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 Co2 O16 P4
Calculated formula	C32 H72 Co2 O16 P4
Title of publication	Cobalt and Manganese Nets via Their Wires: Facile Transformation in Metal-Diorganophosphates
Authors of publication	Ramasamy Pothiraja; Malaichamy Sathiyendiran; Ray J. Butcher; Ramaswamy Murugavel
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7585 - 7587
a	19.94 ± 0.01 Å
b	13.286 ± 0.006 Å
c	17.739 ± 0.006 Å
α	90°
β	90.862 ± 0.016°
γ	90°
Cell volume	4699 ± 4 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
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	0.0899
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
179159 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/20.	4312047.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312047.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312047.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4312047.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.	4312047.cif
3552	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312047 via cif-deposit CGI script.	4312047.cif