Crystallography Open Database

Information card for entry 4071290

Preview

Coordinates	4071290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H19 Fe0.5 P2
Calculated formula	C7 H19 Fe0.5 P2
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	8.762 ± 0.002 Å
b	12.581 ± 0.003 Å
c	12.814 ± 0.002 Å
α	90°
β	132.979 ± 0.009°
γ	90°
Cell volume	1033.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0604
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071290.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071290.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071290.cif
43139	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071290, 4071291, 4071292, 4071293, 4071294 via cif-deposit CGI script.	4071290.cif