Crystallography Open Database

Information card for entry 4316801

Preview

Coordinates	4316801.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trisaquohepta{tris(allyl)cyclotriguaiacylene}nonasilver(I) - hexafluoroantimonate tris(allyl)cyclotriguaiacylene clathrate
Formula	C264 H315 Ag9 F54 O61.5 Sb9
Calculated formula	C264 H273 Ag9 F54.06 O61.5 Sb9.01
Title of publication	Ag(I) Organometallic Coordination Polymers and Capsule with Tris-Allyl Cyclotriveratrylene Derivatives
Authors of publication	Marc A. Little; Malcolm A. Halcrow; Lindsay P. Harding; Michaele J. Hardie
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9486 - 9496
a	83.135 ± 0.002 Å
b	83.135 ± 0.002 Å
c	83.135 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	574582 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	228
Hermann-Mauguin space group symbol	F d -3 c :2
Hall space group symbol	-F 4ud 2vw 3
Residual factor for all reflections	0.1877
Residual factor for significantly intense reflections	0.124
Weighted residual factors for significantly intense reflections	0.3436
Weighted residual factors for all reflections included in the refinement	0.3817
Goodness-of-fit parameter for all reflections included in the refinement	2.437
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4316801.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316801.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316801.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' ) &	4316801.cif
10307	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316801 via cif-deposit CGI script.	4316801.cif