Crystallography Open Database

Information card for entry 4321057

Preview

Coordinates	4321057.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{Di(1-mercaptophenyl)phenylphosphine-S,P}{triphenylphosphine)gold(I)
Formula	C36 H29 Au P2 S2
Calculated formula	C36 H29 Au P2 S2
SMILES	[Au]1(Sc2c([P]1(c1c(S)cccc1)c1ccccc1)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Gold Complexes with Potentially Tri- and Tetradentate Phosphinothiolate Ligands
Authors of publication	Kirstin Ortner; Louise Hilditch; Yifan Zheng; Jonathan R. Dilworth; Ulrich Abram
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2801 - 2806
a	11.833 ± 0.001 Å
b	18.158 ± 0.001 Å
c	14.909 ± 0.001 Å
α	90°
β	102.588 ± 0.003°
γ	90°
Cell volume	3126.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
179313 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/10.	4321057.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321057.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321057.cif
18404	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321057 via cif-deposit CGI script.	4321057.cif