Crystallography Open Database

Information card for entry 4344456

Preview

Coordinates	4344456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H36 Cl4 F6 Fe N4 O7 S2
Calculated formula	C18 H36 Cl4 F6 Fe N4 O7 S2
Title of publication	Upside Down! Crystallographic and Spectroscopic Characterization of an [Fe(IV)(Osyn)(TMC)](2+) Complex.
Authors of publication	Prakash, Jai; Rohde, Gregory T.; Meier, Katlyn K.; Münck, Eckard; Que, Jr, Lawrence
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	23
Pages of publication	11055 - 11057
a	15.896 ± 0.005 Å
b	12.544 ± 0.004 Å
c	16.658 ± 0.008 Å
α	90°
β	108.575 ± 0.004°
γ	90°
Cell volume	3149 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.1043
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
173574 (current)	2016-01-06	cif/ Updating files of 4344456 Original log message: Adding full bibliography for 4344456.cif.	4344456.cif
170517	2015-11-25	cif/ Adding structures of 4344456 via cif-deposit CGI script.	4344456.cif