Crystallography Open Database

Information card for entry 4315639

Preview

Coordinates	4315639.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ag2(C26H22N2O4)2(CF3SO3)2
Formula	C58 H52 Ag2 F6 N4 O14 S2
Calculated formula	C58 H52 Ag2 F6 N4 O14 S2
SMILES	c12ccc(cc1)[N]1=Nc3ccc(OCCCOc4c5cccc(OCCCO2)c5c[cH]2[cH]4[Ag]241OS(=[O][Ag]12([N]5c6ccc(cc6)OCCCOc6cccc7c6c[cH]2[cH]1c7OCCCOc1ccc(N=5)cc1)OS(=[O]4)(=O)C(F)(F)F)(=O)C(F)(F)F)cc3
Title of publication	Structure of Silver(I) Complex Prepared from Azobenzenonaphthalenophane, Photochemical Coordination Change of Silver(I) and Silver(I)-Induced Acceleration of Z-E Thermal Isomerization of Azobenzene Unit
Authors of publication	Yoshimi Oka; Nobuyuki Tamaoki
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	4765 - 4767
a	12.8738 ± 0.0006 Å
b	15.4767 ± 0.0007 Å
c	14.3078 ± 0.0007 Å
α	90°
β	102.84 ± 0.001°
γ	90°
Cell volume	2779.5 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179236 (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 4/31/56.	4315639.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315639.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315639.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' ) &	4315639.cif
8795	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315639 via cif-deposit CGI script.	4315639.cif