Crystallography Open Database

Information card for entry 4329442

Preview

Coordinates	4329442.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetra(n-butyl)ammonium bis(tryptcylthiolato)cuprate(I) diethyl ether solvate
Formula	C60 H72 Cu N O S2
Calculated formula	C60 H72 Cu N O S2
Title of publication	Synthesis and Structures of Cuprous Triptycylthiolate Complexes
Authors of publication	Skylar J. Ferrara; Joel T. Mague; James P. Donahue
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6567 - 6576
a	11.511 ± 0.0007 Å
b	16.0819 ± 0.001 Å
c	16.7584 ± 0.0011 Å
α	100.892 ± 0.001°
β	105.633 ± 0.001°
γ	108.445 ± 0.001°
Cell volume	2703.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	4329442.cif
78499	2013-04-02	cif/ Adding structures of 4329442 via cif-deposit CGI script.	4329442.cif