Crystallography Open Database

Information card for entry 4327558

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Coordinates	4327558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H88 Cl32 Mn12 O48
Calculated formula	C117.198 H68.7052 Cl25.5032 Mn12 O48
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	29.697 ± 0.009 Å
b	17.708 ± 0.004 Å
c	30.204 ± 0.008 Å
α	90°
β	102.121 ± 0.015°
γ	90°
Cell volume	15529 ± 7 Å³
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	2.0347
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.	4327558.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327558.cif
61380	2012-07-04	cif/ Adding structures of 4327558 via cif-deposit CGI script.	4327558.cif