Crystallography Open Database

Information card for entry 4324269

Preview

Coordinates	4324269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H200 Dy Mn21 N3 O86
Calculated formula	C104 H184 Dy Mn21 N3 O87
Title of publication	Mn21Dy Cluster with a Record Magnetization Reversal Barrier for a Mixed 3d/4f Single-Molecule Magnet
Authors of publication	Constantina Papatriantafyllopoulou; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	421 - 423
a	19.1503 ± 0.0004 Å
b	19.7093 ± 0.0004 Å
c	26.1294 ± 0.0006 Å
α	90°
β	111.494 ± 0.001°
γ	90°
Cell volume	9176.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1151
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	0.791
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
179345 (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 4/32/42.	4324269.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324269.cif
40974	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324269 via cif-deposit CGI script.	4324269.cif