Crystallography Open Database

Information card for entry 4339383

Preview

Coordinates	4339383.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe2(Ph,Xyl)4(THF)2]1/2CH2Cl2
Formula	C92.5 H85 Cl Fe2 O10
Calculated formula	C92.5 H85 Cl Fe2 O10
Title of publication	Influence of steric hindrance on the core geometry and sulfoxidation chemistry of carboxylate-rich diiron(II) complexes.
Authors of publication	Reisner, Erwin; Abikoff, Tanya C.; Lippard, Stephen J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	24
Pages of publication	10229 - 10240
a	12.9614 ± 0.0019 Å
b	23.089 ± 0.003 Å
c	13.1367 ± 0.0019 Å
α	90°
β	99.373 ± 0.002°
γ	90°
Cell volume	3878.9 ± 0.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
179496 (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 4/33/93.	4339383.cif
117303	2014-06-14	cif/ Adding structures of 4339382, 4339383, 4339384, 4339385, 4339386, 4339387, 4339388, 4339389, 4339390, 4339391, 4339392, 4339393 via cif-deposit CGI script.	4339383.cif