Crystallography Open Database

Information card for entry 7049240

Preview

Coordinates	7049240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 F12 Fe N3 O4 S3
Calculated formula	C18 H6 F12 Fe N3 O4 S3
Title of publication	Slow magnetization dynamics in a six-coordinate Fe(ii)-radical complex.
Authors of publication	Michalowicz, Carolyn A.; Mills, Michelle B.; Song, Ellen; Soldatov, Dmitriy V.; Boyle, Paul D.; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	14
Pages of publication	4514 - 4519
a	17.183 ± 0.002 Å
b	16.421 ± 0.003 Å
c	8.8532 ± 0.0014 Å
α	90°
β	93.124 ± 0.005°
γ	90°
Cell volume	2494.3 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.0993
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
224293 (current)	2019-11-08	cif/ Updating files of 7049240, 7049241 Original log message: Adding full bibliography for 7049240--7049241.cif.	7049240.cif
214033	2019-03-07	cif/ Adding structures of 7049240, 7049241 via cif-deposit CGI script.	7049240.cif