Crystallography Open Database

Information card for entry 4327557

Preview

Coordinates	4327557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H86 Mn12 O47
Calculated formula	C48 H72 Mn12 O47
Title of publication	Single-Molecule Magnets: Jahn-Teller Isomerism and the Origin of Two Magnetization Relaxation Processes in Mn12 Complexes
Authors of publication	Sheila M. J. Aubin; Ziming Sun; Hilary J. Eppley; Evan M. Rumberger; Ilia A. Guzei; Kirsten Folting; Peter K. Gantzel; Arnold L. Rheingold; George Christou; David N. Hendrickson
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2127 - 2146
a	16.462 ± 0.007 Å
b	22.401 ± 0.009 Å
c	20.766 ± 0.009 Å
α	90°
β	103.853 ± 0.015°
γ	90°
Cell volume	7435 ± 5 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.2254
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179378 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75.	4327557.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327557.cif
61379	2012-07-04	cif/ Adding structures of 4327557 via cif-deposit CGI script.	4327557.cif