Crystallography Open Database

Information card for entry 4108984

Preview

Coordinates	4108984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H75 Cl2 Mn5 N24 O7
Calculated formula	C45 H75 Cl2 Mn5 N24 O7
Title of publication	A Pentanuclear Manganese Single-Molecule Magnet with a Large Anisotropy
Authors of publication	Chen-I Yang; Wolfgang Wernsdorfer; Gene-Hsiang Lee; Hui-Lien Tsai
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	456 - 457
a	13.4646 ± 0.0002 Å
b	13.4646 ± 0.0002 Å
c	59.9213 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	9408 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
178835 (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 4/10/89.	4108984.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108984.cif
57720	2012-05-18	cif/ Adding structures of 4108984 via cif-deposit CGI script.	4108984.cif