Crystallography Open Database

Information card for entry 4112136

Preview

Coordinates	4112136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53.33 H55.33 Cl4 Cu2 Fe2 P2 S2
Calculated formula	C53.32 H55.32 Cl4 Cu2 Fe2 P2 S2
Title of publication	Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines
Authors of publication	Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	456 - 457
a	17.7079 ± 0.0002 Å
b	17.7079 ± 0.0002 Å
c	15.0264 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	4080.56 ± 0.08 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	7
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178892 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21.	4112136.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112136.cif
64498	2012-08-17	cif/ Adding structures of 4112136 via cif-deposit CGI script.	4112136.cif