Crystallography Open Database

Information card for entry 4074683

Preview

Coordinates	4074683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2
Calculated formula	C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2
Title of publication	1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides
Authors of publication	Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	5
Pages of publication	1199 - 1205
a	10.613 ± 0.0005 Å
b	12.0109 ± 0.0006 Å
c	13.3195 ± 0.0007 Å
α	90.409 ± 0.001°
β	95.317 ± 0.001°
γ	94.328 ± 0.001°
Cell volume	1685.56 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
209826 (current)	2018-08-17	cif/4/ Updating bibliography in entries 4060850-4060853, 4074682-4074685. Marking entries 4060850-4060853 as duplicates of entries 4074682-4074685.	4074683.cif
178635	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 4/07/46.	4074683.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074683.cif
48652	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074683 via cif-deposit CGI script.	4074683.cif