Crystallography Open Database

Information card for entry 7101299

Preview

Coordinates	7101299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H62 Ag3 B3 Br6 Cl6 F12 N6 O15
Calculated formula	C98 H54 Ag3 B3 Br6 Cl6.02 F12 N6 O15
Title of publication	Orthogonal packing of enantiomerically pure helical silver coordination networks
Authors of publication	Mir Wais Hosseini; Philippe Grosshans; Abdelaziz Jouaiti; Nathalie Kyritsakas; Jean-Marc Planeix
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	29
a	23.8747 ± 0.0006 Å
b	23.8747 ± 0.0006 Å
c	23.8747 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	13608.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for all reflections	0.1585
Residual factor for significantly intense reflections	0.1012
Weighted residual factors for significantly intense reflections	0.2579
Weighted residual factors for all reflections included in the refinement	0.2628
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
203911 (current)	2017-12-03	cif/7/10/12/ Updating space group information in entry 7101299.	7101299.cif
180114	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/12.	7101299.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7101299.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7101299.cif
91955	2013-12-31	cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number.	7101299.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7101299.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7101299.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.	7101299.cif
271	2008-03-15	Adding CIF files from the Chem-Comm-2006-20_48/ deposion.	7101299.cif