Crystallography Open Database

Information card for entry 4071294

Preview

Coordinates	4071294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H71 B Fe O2 P4
Calculated formula	C46 H71 B Fe O2 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	17.3563 ± 0.0004 Å
b	22.1987 ± 0.0006 Å
c	24.0438 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	9263.8 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
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.	4071294.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071294.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071294.cif
43139	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071290, 4071291, 4071292, 4071293, 4071294 via cif-deposit CGI script.	4071294.cif