Crystallography Open Database

Information card for entry 4120771

4120770 << 4120771 >> 4120772

Preview

Coordinates	4120771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H6 F24 Mn2 N6 O8 S4
Calculated formula	C26 H6 F24 Mn2 N6 O8 S4
Title of publication	High-Spin Ribbons and Antiferromagnetic Ordering of a MnII-Biradical-MnII Complex
Authors of publication	Elisabeth M. Fatila; Rodolphe Clérac; Mathieu Rouzières; Dmitriy V. Soldatov; Michael Jennings; Kathryn E. Preuss
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	13298 - 13301
a	29.007 ± 0.005 Å
b	15.739 ± 0.002 Å
c	19.889 ± 0.003 Å
α	90°
β	109.985 ± 0.004°
γ	90°
Cell volume	8533 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0666
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
178984 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/07.	4120771.cif
106877	2014-03-17	cif/ Adding structures of 4120771 via cif-deposit CGI script.	4120771.cif