Crystallography Open Database

Information card for entry 4074682

Preview

Coordinates	4074682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H41 Cl2 F5 Fe I O2 P Pd
Calculated formula	C38 H41 Cl2 F5 Fe I O2 P Pd
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	11.9657 ± 0.0008 Å
b	16.0604 ± 0.0011 Å
c	20.2335 ± 0.0014 Å
α	90°
β	98.876 ± 0.002°
γ	90°
Cell volume	3841.8 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1683
Weighted residual factors for all reflections included in the refinement	0.1901
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4074682.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.	4074682.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074682.cif
48651	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074682 via cif-deposit CGI script.	4074682.cif