Crystallography Open Database

Information card for entry 1515304

Preview

Coordinates	1515304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H88 Ag4 I8 N4
Calculated formula	C52 H88 Ag4 I8 N4
SMILES	I[Ag]1[I][Ag]2([I]1)[I][Ag]1([I]2)[I][Ag]([I]1)I.[N+](Cc1ccccc1)(CC)(CC)CC.[N+](CC)(CC)(CC)Cc1ccccc1.[N+](Cc1ccccc1)(CC)(CC)CC.[N+](Cc1ccccc1)(CC)(CC)CC
Title of publication	Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.
Authors of publication	Xu, Biao; Wang, Ruji; Wang, Xun
Journal of publication	Nanoscale
Year of publication	2012
Journal volume	4
Journal issue	8
Pages of publication	2713 - 2719
a	10.0164 ± 0.0008 Å
b	12.4022 ± 0.0009 Å
c	14.8694 ± 0.001 Å
α	89.2116 ± 0.0019°
β	73.399 ± 0.002°
γ	73.308 ± 0.002°
Cell volume	1690.9 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
176729 (current)	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.	1515304.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 {}'	1515304.cif
111106	2014-04-20	cif/ Adding structures of 1515304, 1515305, 1515306, 1515307 via cif-deposit CGI script.	1515304.cif