Crystallography Open Database

Information card for entry 7047205

Preview

Coordinates	7047205.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(en)2Fe(II)-(μ-OH)-Fe(III)MST]OTf
Formula	C46 H78 Cl2 F3 Fe2 N8 O10 S4
Calculated formula	C46 H77 Cl2 F3 Fe2 N8 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	9.0701 ± 0.0008 Å
b	17.9865 ± 0.0015 Å
c	18.8049 ± 0.0016 Å
α	107.856 ± 0.0011°
β	94.8064 ± 0.0012°
γ	97.9985 ± 0.001°
Cell volume	2865.5 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7047205.cif
209352	2018-08-02	cif/ Adding structures of 7047202, 7047203, 7047204, 7047205, 7047206, 7047207, 7047208 via cif-deposit CGI script.	7047205.cif