Crystallography Open Database

Information card for entry 4325140

Preview

Coordinates	4325140.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tris(triethylphosphino)-copper-phenylthiolate
Chemical name	phenylsulfido-tris(triethylphosphine)-copper
Formula	C24 H50 Cu P3 S
Calculated formula	C24 H50 Cu P3 S
SMILES	[Cu](Sc1ccccc1)([P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding
Authors of publication	Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4742 - 4752
a	16.5501 ± 0.001 Å
b	10.9479 ± 0.0009 Å
c	15.9208 ± 0.001 Å
α	90°
β	95.958 ± 0.005°
γ	90°
Cell volume	2869.1 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179354 (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 4/32/51.	4325140.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325140.cif
43593	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325140 via cif-deposit CGI script.	4325140.cif