Crystallography Open Database

Information card for entry 4329466

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Coordinates	4329466.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(μ~4~-phenylsulfido)-bis(μ~3~-phenylsulfido)-pentakis(μ~2~-phenylsulfido) -tetrakis(trimethylphosphine)-methyl-hexa-copper-gallium pentane solvate
Formula	C62.88 H79 Cu6 Ga P4 S8
Calculated formula	C62.88 H79 Cu6 Ga P4 S8
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	12.4658 ± 0.0004 Å
b	25.0048 ± 0.0009 Å
c	23.5111 ± 0.0007 Å
α	90°
β	95.505 ± 0.002°
γ	90°
Cell volume	7294.7 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
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	0.04
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
179397 (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 4/32/94.	4329466.cif
78523	2013-04-02	cif/ Adding structures of 4329466 via cif-deposit CGI script.	4329466.cif