Crystallography Open Database

Information card for entry 7047208

Preview

Coordinates	7047208.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(TMEDA)Fe(II)(OTf)-(μ-OH)-Fe(III)MST]
Formula	C40 H62 F3 Fe2 N6 O10 S4
Calculated formula	C40 H62 F3 Fe2 N6 O10 S4
Title of publication	Modular bimetallic complexes with a sulfonamido-based ligand.
Authors of publication	Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	35
Pages of publication	12362 - 12372
a	39.226 ± 0.003 Å
b	16.9526 ± 0.0013 Å
c	18.8719 ± 0.0014 Å
α	90°
β	110.887 ± 0.0009°
γ	90°
Cell volume	11724.8 ± 1.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
229936 (current)	2019-11-17	cif/ Updating files of 7047202, 7047203, 7047204, 7047205, 7047206, 7047207, 7047208 Original log message: Adding full bibliography for 7047202--7047208.cif.	7047208.cif
209352	2018-08-02	cif/ Adding structures of 7047202, 7047203, 7047204, 7047205, 7047206, 7047207, 7047208 via cif-deposit CGI script.	7047208.cif