Crystallography Open Database

Information card for entry 4103692

Preview

Coordinates	4103692.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	07067c
Formula	C50 H43 F12 Fe N11 O8 S2
Calculated formula	C40 H28 F12 Fe N6 O8 S2
Title of publication	Olefin Cis-Dihydroxylation with Bio-Inspired Iron Catalysts. Evidence for an FeII/FeIV Catalytic Cycle
Authors of publication	Paul D. Oldenburg; Yan Feng; Iweta Pryjomska-Ray; Daniel Ness; Lawrence Que
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17713 - 17723
a	11.299 ± 0.002 Å
b	12.053 ± 0.002 Å
c	12.362 ± 0.002 Å
α	115.343 ± 0.003°
β	94.307 ± 0.003°
γ	100.069 ± 0.003°
Cell volume	1476.7 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
178782 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/36.	4103692.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103692.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103692.cif
26725	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103692 via cif-deposit CGI script.	4103692.cif