Crystallography Open Database

Information card for entry 4071826

Preview

Coordinates	4071826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H42 Fe O5 P4
Calculated formula	C18 H42 Fe O5 P4
Title of publication	Reductive Disproportionation of Carbon Dioxide at an Iron(II) Center
Authors of publication	Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	14
Pages of publication	3328
a	9.2623 ± 0.0007 Å
b	17.5775 ± 0.0011 Å
c	16.578 ± 0.0013 Å
α	90°
β	103.317 ± 0.002°
γ	90°
Cell volume	2626.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0595
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
178607 (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 4/07/18.	4071826.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071826.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071826.cif
44064	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071826 via cif-deposit CGI script.	4071826.cif