Crystallography Open Database

Information card for entry 4332771

Preview

Coordinates	4332771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Au2 Br6 Cl2 N8 O2 Pt2
Calculated formula	C36 H36 Au2 Br6 Cl2 N8 O2 Pt2
SMILES	O=CN(C)C.[Au](Br)(Br)(Br)[Br-].Cl[Pt]12([n]3ccccc3c3cccc([n]13)c1cccc[n]21).[Au](Br)[Br-].[Pt]12([n]3ccccc3c3cccc([n]13)c1cccc[n]21)Cl.N(C=O)(C)C
Title of publication	Gold(III) and Platinum(II) Polypyridyl Double Salts and a General Metathesis Route to Metallophilic Interactions
Authors of publication	Hayoun, Rebecca; Zhong, Diane K.; Rheingold, Arnold L.; Doerrer, Linda H.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	16
Pages of publication	6120 - 6122
a	7.996 ± 0.004 Å
b	10.059 ± 0.005 Å
c	15.765 ± 0.008 Å
α	89.093 ± 0.009°
β	76.112 ± 0.009°
γ	71.306 ± 0.009°
Cell volume	1163.4 ± 1 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1389
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179430 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332771.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 {}'	4332771.cif
98541	2014-01-30	cif/ Adding structures of 4332770, 4332771, 4332772, 4332773, 4332774, 4332775 via cif-deposit CGI script.	4332771.cif