Crystallography Open Database

Information card for entry 4338206

Preview

Coordinates	4338206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H36 F6 Fe N4 P3
Calculated formula	C23 H36 F6 Fe N4 P3
Title of publication	Iron Complexes Derived from {nacnac-(CH2py)2}(-) and {nacnac-(CH2py)(CHpy)}(n) Ligands: Stabilization of Iron(II) via Redox Noninnocence.
Authors of publication	Williams, Valerie A.; Wolczanski, Peter T.; Sutter, Jörg; Meyer, Karsten; Lobkovsky, Emil B.; Cundari, Thomas R.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	9
Pages of publication	4459 - 4474
a	17.6532 ± 0.0014 Å
b	35.819 ± 0.003 Å
c	8.894 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5623.9 ± 0.8 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4338206.cif
115770	2014-06-05	cif/ Updating files of 4338204, 4338205, 4338206, 4338207 Original log message: Adding full bibliography for 4338204--4338207.cif.	4338206.cif
111621	2014-04-25	cif/ Adding structures of 4338204, 4338205, 4338206, 4338207 via cif-deposit CGI script.	4338206.cif