Crystallography Open Database

Information card for entry 4107509

Preview

Coordinates	4107509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C129 H100 F30 Mn4 N30 O P5 Re
Calculated formula	C130 H100 F22.01 Mn4 N32 O P4 Re
Title of publication	A Redox-Switchable Single-Molecule Magnet Incorporating [Re(CN)7]3-
Authors of publication	Danna E. Freedman; David M. Jenkins; Anthony T. Iavarone; Jeffrey R. Long
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2884 - 2885
a	38.414 ± 0.013 Å
b	24.631 ± 0.008 Å
c	17.267 ± 0.006 Å
α	90°
β	113.491 ± 0.006°
γ	90°
Cell volume	14984 ± 9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1643
Residual factor for significantly intense reflections	0.1161
Weighted residual factors for significantly intense reflections	0.3038
Weighted residual factors for all reflections included in the refinement	0.3551
Goodness-of-fit parameter for all reflections included in the refinement	1.359
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
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107509.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107509.cif
55195	2012-05-04	cif/ Adding structures of 4107509 via cif-deposit CGI script.	4107509.cif