Crystallography Open Database

Information card for entry 4316804

Preview

Coordinates	4316804.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	diaquo{tris(allyl)cyclotriguaiacylene}disilver(I) - tetrafluoroborate nitromethane clathrate
Formula	C35 H46 Ag2 B2 F8 N2 O12
Calculated formula	C35 H46 Ag2 B2 F8 N2 O12
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	19.863 ± 0.003 Å
b	23.41 ± 0.004 Å
c	9.225 ± 0.0012 Å
α	90°
β	98.163 ± 0.007°
γ	90°
Cell volume	4246.1 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0885
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179248 (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 4/31/68.	4316804.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316804.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316804.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' ) &	4316804.cif
10310	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316804 via cif-deposit CGI script.	4316804.cif