Crystallography Open Database

Information card for entry 7047207

Preview

Coordinates	7047207.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(TMEDA)Fe(II)(NCS)-(μ-OH)-Fe(III)MST]
Formula	C40 H62 Fe2 N7 O7 S4
Calculated formula	C40 H62 Fe2 N7 O7 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	34.669 ± 0.003 Å
b	34.669 ± 0.003 Å
c	20.8648 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	21718 ± 3 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
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.	7047207.cif
209352	2018-08-02	cif/ Adding structures of 7047202, 7047203, 7047204, 7047205, 7047206, 7047207, 7047208 via cif-deposit CGI script.	7047207.cif