Crystallography Open Database

Information card for entry 7047204

Preview

Coordinates	7047204.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(TMEDA)Co(II)(OTf)-(μ-OH)-Fe(III)MST]
Formula	C40 H62 Co F3 Fe N6 O10 S4
Calculated formula	C40 H62 Co F3 Fe 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	39.277 ± 0.005 Å
b	16.972 ± 0.002 Å
c	18.844 ± 0.002 Å
α	90°
β	110.787 ± 0.0015°
γ	90°
Cell volume	11744 ± 2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	8
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	0.06
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7047204.cif
209352	2018-08-02	cif/ Adding structures of 7047202, 7047203, 7047204, 7047205, 7047206, 7047207, 7047208 via cif-deposit CGI script.	7047204.cif