Crystallography Open Database

Information card for entry 4066014

Preview

Coordinates	4066014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H60 Cu I N2 O6 P2
Calculated formula	C80 H60 Cu I N2 O6 P2
Title of publication	Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)
Authors of publication	Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	11
Pages of publication	2503
a	13.686 ± 0.003 Å
b	24.927 ± 0.005 Å
c	10.4443 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3563.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.145
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1915
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4066014.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066014.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066014.cif
33753	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066014 via cif-deposit CGI script.	4066014.cif