Crystallography Open Database

Information card for entry 4070547

Preview

Coordinates	4070547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H71 Cu Fe I N3 P4
Calculated formula	C70 H68 Cu Fe I N2 P4
Title of publication	First Copper(I) Ferrocenyltetraphosphine Complexes: Possible Involvement in Sonogashira Cross-Coupling Reaction?
Authors of publication	Beaupérin, Matthieu; Fayad, Elie; Amardeil, Régine; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Meunier, Philippe; Hierso, Jean-Cyrille
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1506
a	12.553 ± 0.005 Å
b	13.193 ± 0.005 Å
c	20.198 ± 0.005 Å
α	86.425 ± 0.005°
β	76.582 ± 0.005°
γ	79.054 ± 0.005°
Cell volume	3193.9 ± 1.9 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 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	0.1459
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
178594 (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 4/07/05.	4070547.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070547.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070547.cif
42555	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070547, 4070548 via cif-deposit CGI script.	4070547.cif