Crystallography Open Database

Information card for entry 7203182

7203181 << 7203182 >> 7203183

Preview

Coordinates	7203182.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HMI-Au(CN)2
Formula	C6 H7 Au N4
Calculated formula	C6 H7 Au N4
SMILES	c1[nH]cc[n+]1C.C(#N)[Au]C#N
Title of publication	Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming
Authors of publication	Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	8
Pages of publication	724
a	6.9146 ± 0.0014 Å
b	7.0143 ± 0.0019 Å
c	10.59 ± 0.002 Å
α	100.178 ± 0.019°
β	97.31 ± 0.017°
γ	117.655 ± 0.016°
Cell volume	434.7 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for all reflections	0.1952
Goodness-of-fit parameter for all reflections	1.45
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoK-alpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7203182.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7203182.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7203182.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203182.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203182.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7203182.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.	7203182.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203182.cif