Crystallography Open Database

Information card for entry 4339392

Preview

Coordinates	4339392.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe2(O2CArXyl,Ph)4(pyCH2SMes)]
Formula	C106.25 H93 Cl Fe2 N O8 S
Calculated formula	C106.25 H93 Cl Fe2 N O8 S
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	19.538 ± 0.019 Å
b	14.946 ± 0.015 Å
c	35.12 ± 0.03 Å
α	90°
β	105.542 ± 0.018°
γ	90°
Cell volume	9881 ± 16 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
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	0.1043
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.2485
Weighted residual factors for all reflections included in the refinement	0.2638
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	4339392.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.	4339392.cif