Crystallography Open Database

Information card for entry 4327354

Preview

Coordinates	4327354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H64 Cu3 F6 O4 P7 S4
Calculated formula	C58 H64 Cu3 F6 O4 P7 S4
SMILES	[Cu]12[P](C[P]([Cu]34[P](C[P]([Cu]([S]13P(=[S]4)(OCC)OCC)[S]=P(S2)(OCC)OCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Versatility of Dithiophosphates in the Syntheses of Copper(I) Complexes with Bis(diphenylphosphino)alkanes: Abstraction of Chloride from Dichloromethane
Authors of publication	Ben-Jie Liaw; Tarlok S. Lobana; Ya-Wen Lin; Ju-Chun Wang; C. W. Liu
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9921 - 9929
a	12.812 ± 0.002 Å
b	15.221 ± 0.003 Å
c	17.1 ± 0.003 Å
α	82.275 ± 0.003°
β	83.963 ± 0.003°
γ	89.726 ± 0.003°
Cell volume	3286 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179376 (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 4/32/73.	4327354.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327354.cif
61118	2012-06-21	cif/ Adding structures of 4327354 via cif-deposit CGI script.	4327354.cif