Crystallography Open Database

Information card for entry 4314752

Preview

Coordinates	4314752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H175 B3 Ho4 N28 O172 W36
Calculated formula	C128 H119 B3 Ho4 N28 O172 W36
Title of publication	Structural and Catalytic Performance of a Polyoxometalate-Based Metal-Organic Framework Having a Lanthanide Nanocage as a Secondary Building Block
Authors of publication	Dongbin Dang; Yan Bai; Cheng He; Jian Wang; Chunying Duan; Jingyang Niu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1280 - 1282
a	18.9215 ± 0.0006 Å
b	20.0382 ± 0.0007 Å
c	20.7893 ± 0.0006 Å
α	64.239 ± 0.002°
β	65.377 ± 0.002°
γ	64.85 ± 0.002°
Cell volume	6160.4 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1319
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179227 (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 4/31/47.	4314752.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314752.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314752.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' ) &	4314752.cif
7895	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314752 via cif-deposit CGI script.	4314752.cif