Crystallography Open Database

Information card for entry 4075754

Preview

Coordinates	4075754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Cu2 F6 O4
Calculated formula	C20 H28 Cu2 F5.94 O4
SMILES	FC(F)(F)C1=[O][Cu]23([CH]4=[CH]2CCCCCC4)[Cu]2([CH]4=[CH]2CCCCCC4)(O1)[O]=C(C(F)(F)F)O3
Title of publication	Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions
Authors of publication	Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	5
Pages of publication	819
a	10.284 ± 0.003 Å
b	21.386 ± 0.005 Å
c	22.061 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4852 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1251
Goodness-of-fit parameter for all reflections included in the refinement	0.811
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
178646 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/57.	4075754.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075754.cif
50649	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075754, 4075755, 4075756, 4075757 via cif-deposit CGI script.	4075754.cif