Crystallography Open Database

Information card for entry 4331665

Preview

Coordinates	4331665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H192 Mn12 O49
Calculated formula	C101 H188 Mn12 O49
Title of publication	Synthesis, Structure, and Spectroscopic and Magnetic Characterization of [Mn12O12(O2CCH2But)16(MeOH)4].MeOH, a Mn12 Single-Molecule Magnet with True Axial Symmetry
Authors of publication	Christos Lampropoulos; Muralee Murugesu; Andrew G. Harter; Wolfgang Wernsdofer; Stephen Hill; Naresh S. Dalal; Arneil P. Reyes; Philip L. Kuhns; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	258 - 272
a	21.5248 ± 0.0006 Å
b	21.5248 ± 0.0006 Å
c	15.2323 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7057.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331665.cif
97788	2014-01-29	cif/ Adding structures of 4331665 via cif-deposit CGI script.	4331665.cif