Crystallography Open Database

Information card for entry 4314900

Preview

Coordinates	4314900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H81 Cl2 Mn5 N24 O7
Calculated formula	C48 H21 Cl2 Mn5 N24 O7
Title of publication	Large Spin-State Changes in Isostructural Cyanate- and Azide-Bridged Mn3IIIMn2II Single-Molecule Magnets
Authors of publication	Patrick L. Feng; Casey J. Stephenson; Asma Ajmad; Gavin Ogawa; Enrique del Barco; David N. Hendrickson
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1304 - 1306
a	13.6691 ± 0.0013 Å
b	13.6691 ± 0.0013 Å
c	60.259 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	9750.6 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0665
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179229 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49.	4314900.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314900.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314900.cif
8043	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314900 via cif-deposit CGI script.	4314900.cif