Crystallography Open Database

Information card for entry 4343421

Preview

Coordinates	4343421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H58 Cl4 Fe2 N2 P4 S2
Calculated formula	C56 H58 Cl4 Fe2 N2 P4 S2
Title of publication	Unsymmetrical Chelation of N-Thioether-Functionalized Bis(diphenylphosphino)amine-Type Ligands and Substituent Effects on the Nuclearity of Iron(II) Complexes: Structures, Magnetism, and Bonding.
Authors of publication	Fliedel, Christophe; Rosa, Vitor; Falceto, Andrés; Rosa, Patrick; Alvarez, Santiago; Braunstein, Pierre
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6547 - 6559
a	9.1061 ± 0.0003 Å
b	17.0094 ± 0.0007 Å
c	18.7819 ± 0.0008 Å
α	91.446 ± 0.002°
β	92.284 ± 0.002°
γ	90.945 ± 0.002°
Cell volume	2905.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1201
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2112
Weighted residual factors for all reflections included in the refinement	0.2373
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
152794 (current)	2015-08-05	cif/ Updating files of 4343421, 4343422, 4343423 Original log message: Adding full bibliography for 4343421--4343423.cif.	4343421.cif
139517	2015-06-24	cif/ Adding structures of 4343421, 4343422, 4343423 via cif-deposit CGI script.	4343421.cif