Crystallography Open Database

Information card for entry 4329467

Preview

Coordinates	4329467.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(μ~3~-phenylselenido)-tris(μ~2~-phenylselenido)-tris(trimethylphosphine) -methyl-tetra-copper-gallium pentane solvate tetrahydrofuran solvate
Formula	C54.5 H60 Cu4 Ga O1.5 P3 Se6
Calculated formula	C54.49 H59.97 Cu4 Ga O1.5 P3 Se6
Title of publication	Trialkylphosphine-Stabilized Copper(I) Gallium(III) Phenylchalcogenolate Complexes: Crystal Structures and Generation of Ternary Semiconductors by Thermolysis
Authors of publication	Oliver Kluge; Harald Krautscheid
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6655 - 6666
a	16.3325 ± 0.0007 Å
b	16.3325 ± 0.0007 Å
c	27.1616 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	6274.7 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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.	4329467.cif
78524	2013-04-02	cif/ Adding structures of 4329467 via cif-deposit CGI script.	4329467.cif