Crystallography Open Database

Information card for entry 4325146

Preview

Coordinates	4325146.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tris(triisopropylphosphino-copper-phenylthiolate)
Chemical name	tris(μ~2~-phenylsulfido)-tris(triisopropylphosphine)-tri-copper
Formula	C45 H78 Cu3 P3 S3
Calculated formula	C45 H78 Cu3 P3 S3
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	14.0503 ± 0.0007 Å
b	13.4364 ± 0.0004 Å
c	26.9845 ± 0.0013 Å
α	90°
β	95.093 ± 0.004°
γ	90°
Cell volume	5074.2 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
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.	4325146.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325146.cif
43599	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325146 via cif-deposit CGI script.	4325146.cif