Crystallography Open Database

Information card for entry 4335226

Preview

Coordinates	4335226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H41 Au Cl5 O2 P2 Sb
Calculated formula	C36 H41 Au Cl5 O2 P2 Sb
Title of publication	σ-Donor/Acceptor-Confused Ligands: The Case of a Chlorostibine
Authors of publication	Iou-Sheng Ke; François P. Gabbaï
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7145 - 7151
a	36.851 ± 0.003 Å
b	36.851 ± 0.003 Å
c	15.665 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	18423 ± 4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
198633 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 700 files were changed.	4335226.cif
179455	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 4/33/52.	4335226.cif
101135	2014-02-10	cif/ Adding structures of 4335226 via cif-deposit CGI script.	4335226.cif