Crystallography Open Database

Information card for entry 1500040

Preview

Coordinates	1500040.cif

Structure parameters

Chemical name	Silver(I) complex of 2,2-Dimethyl-1,3-Diisocyano Propane
Formula	C7 H10 Ag Cl N2
Calculated formula	C7 H10 Ag Cl N2
Title of publication	Synthesis and Solid State Characterization of Organometallic Polymer of Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand
Authors of publication	Al-Ktaifani, M. M.; Rukiah, M. K.; Shaaban, A. K.
Journal of publication	Pol.J.Chem.
Year of publication	2008
Journal volume	82
Pages of publication	547 - 557
a	16.33228 ± 0.00018 Å
b	16.2155 ± 0.0003 Å
c	7.24228 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	1918.02 ± 0.05 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor R(I) for significantly intense reflections	2.9758
Goodness-of-fit parameter for all reflections	1.85
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190405 (current)	2017-01-11	cif/1/50/ (antanas@echidna.ibt.lt) Changing the _atom_site_label data item values to match the ones in the related data items (e. g. _geom_angle_atom_site_label_*) in entry 1500040.	1500040.cif
190404	2017-01-11	cif/1/50/00/ (antanas@echidna.ibt.lt) Changing the _atom_type_symbol and _atom_site_type_symbol data item values to match each other in entries 1500024, 1500040.	1500040.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1500040.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1500040.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' ) &	1500040.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.	1500040.cif
3814	2010-11-21	../uploads/cif-deposit/cod/cif Adding structures of 1500040 via cif-deposit CGI script.	1500040.cif