Crystallography Open Database

Information card for entry 4338290

Preview

Coordinates	4338290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H40 Cl F6 Fe N4 O Sb
Calculated formula	C33 H40 Cl F6 Fe N4 O Sb
Title of publication	Kinetic analysis of the formation and decay of a non-heme ferric hydroperoxide species susceptible to o-o bond homolysis.
Authors of publication	Zhang, Qiao; Goldsmith, Christian R.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	5206 - 5211
a	10.6535 ± 0.0007 Å
b	12.7137 ± 0.0008 Å
c	14.3226 ± 0.0009 Å
α	99.401 ± 0.001°
β	103.677 ± 0.001°
γ	107.05 ± 0.001°
Cell volume	1744.64 ± 0.19 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation probe	x-ray
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
179485 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82.	4338290.cif
115676	2014-06-05	cif/ Updating files of 4338290 Original log message: Adding full bibliography for 4338290.cif.	4338290.cif
112627	2014-05-03	cif/ Adding structures of 4338290 via cif-deposit CGI script.	4338290.cif