Crystallography Open Database

Information card for entry 4113231

Preview

Coordinates	4113231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H139 Dy4 Mn11 N20 O66
Calculated formula	C141 H127 Dy4 Mn11 N19 O66
Title of publication	Initial Observation of Magnetization Hysteresis and Quantum Tunneling in Mixed Manganese-Lanthanide Single-Molecule Magnets
Authors of publication	Abhudaya Mishra; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	15648 - 15649
a	16.5705 ± 0.0011 Å
b	17.2926 ± 0.0011 Å
c	18.6213 ± 0.0012 Å
α	64.97 ± 0.001°
β	67.295 ± 0.001°
γ	65.611 ± 0.001°
Cell volume	4256.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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
178903 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/32.	4113231.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113231.cif
65654	2012-09-06	cif/ Adding structures of 4113231 via cif-deposit CGI script.	4113231.cif