Crystallography Open Database

Information card for entry 4071293

Preview

Coordinates	4071293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H54 Fe P4
Calculated formula	C22 H54 Fe P4
Title of publication	Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2
Authors of publication	Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	9
Pages of publication	2092
a	7.593 ± 0.0004 Å
b	10.2012 ± 0.0004 Å
c	19.5659 ± 0.001 Å
α	77.903 ± 0.002°
β	89.807 ± 0.002°
γ	68.634 ± 0.004°
Cell volume	1375.59 ± 0.12 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
178601 (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 4/07/12.	4071293.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071293.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071293.cif
43139	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071290, 4071291, 4071292, 4071293, 4071294 via cif-deposit CGI script.	4071293.cif