Crystallography Open Database

Information card for entry 7050763

Preview

Coordinates	7050763.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ag3(titmb)2]2[1,4-C6H4(COO)2]3×23H2O (1)
Formula	C108 H154 Ag6 N24 O35
Calculated formula	C108 H136 Ag6 N24 O35
Title of publication	First example of a dumbbell-like architecture containing M3L2 cages and terephthalate anions
Authors of publication	Jian Fan; Wei-Yin Sun; Taka-aki Okamura; Jin Xie; Wen-Xia Tang; Norikazu Ueyama
Journal of publication	New J. Chem.
Journal volume	26
Journal issue	2
Pages of publication	199 - 201
a	35.8754 ± 0.0006 Å
b	17.6365 ± 0.0003 Å
c	43.1894 ± 0.0008 Å
α	90°
β	113.531 ± 0.001°
γ	90°
Cell volume	25054.3 ± 0.8 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1535
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	0.819
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
194585 (current)	2017-03-29	cif/7/ (antanas@echidna.ibt.lt) Replacing the "¡¤" substring with the "\\times " substring in the _chemical_name_systematic data items value in entries 7011607, 7011608, 7050763, 7050764.	7050763.cif
180061	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/07.	7050763.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7050763.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7050763.cif
7477	2011-01-18	cif/7/ Updating (redepositing) the rest of the series-7 files that had non-ASCII symbols in them. Hopefully these are the last instances of non-ASCII text creeped into COD (the new cif-tools should cnvert non-ASCII symbols into XML entities or flag them as errors).	7050763.cif
3898	2010-12-09	cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line.	7050763.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7050763.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	7050763.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	7050763.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7050763.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	7050763.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	7050763.cif