Crystallography Open Database

Information card for entry 7047206

Preview

Coordinates	7047206.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[(TMEDA)Ni(II)(Br)-(μ-OH)-Fe(III)MST]
Formula	C40 H64 Br Cl2 Fe N6 Ni O7 S3
Calculated formula	C40 H64 Br Cl2 Fe N6 Ni O7 S3
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	21.816 ± 0.0018 Å
b	13.1714 ± 0.0011 Å
c	17.6057 ± 0.0014 Å
α	90°
β	107.535 ± 0.001°
γ	90°
Cell volume	4823.9 ± 0.7 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7047206.cif
209352	2018-08-02	cif/ Adding structures of 7047202, 7047203, 7047204, 7047205, 7047206, 7047207, 7047208 via cif-deposit CGI script.	7047206.cif