Crystallography Open Database

Information card for entry 4332385

Preview

Coordinates	4332385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H110 Cl4 F2 Fe2 N4 O8
Calculated formula	C118 H108 Cl4 F2 Fe2 N4 O8
Title of publication	Mechanistic Studies of the OxidativeN-Dealkylation of a Substrate Tethered to Carboxylate-Bridged Diiron(II) Complexes, [Fe2(μ-O2CArTol)2(O2CArTol)2(N,N-Bn2en)2]
Authors of publication	Yoon, Sungho; Lippard, Stephen J.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	14
Pages of publication	5438 - 5446
a	13.2882 ± 0.0018 Å
b	14.107 ± 0.002 Å
c	16.17 ± 0.002 Å
α	102.139 ± 0.002°
β	114.168 ± 0.002°
γ	100.61 ± 0.002°
Cell volume	2576.6 ± 0.6 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0565
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179426 (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 4/33/23.	4332385.cif
98276	2014-01-29	cif/ Adding structures of 4332385 via cif-deposit CGI script.	4332385.cif