Crystallography Open Database

Information card for entry 4325144

Preview

Coordinates	4325144.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pentakis(triethylphosphino)-hexakis(copper-phenylselenolate)
Chemical name	pentakis(μ~3~-phenylselenido)-(μ~2~-phenylselenido)- pentakis(triethylphosphine)-hexa-copper pentane solvate
Formula	C68.5 H105 Cu6 P5 Se6
Calculated formula	C68.5 H105 Cu6 P5 Se6
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	13.6847 ± 0.0006 Å
b	14.9342 ± 0.0006 Å
c	22.3746 ± 0.001 Å
α	92.005 ± 0.003°
β	103.197 ± 0.003°
γ	114.376 ± 0.003°
Cell volume	4011.8 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325144.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325144.cif
43597	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325144 via cif-deposit CGI script.	4325144.cif