Crystallography Open Database

Information card for entry 4315657

Preview

Coordinates	4315657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H53 Mn2 N9 O21 Pr2
Calculated formula	C40 H53 Mn2 N9 O21 Pr2
Title of publication	Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties
Authors of publication	Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5293 - 5302
a	15.7824 ± 0.0008 Å
b	18.0167 ± 0.0009 Å
c	36.8863 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	10488.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
179236 (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 4/31/56.	4315657.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315657.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315657.cif
8813	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315657 via cif-deposit CGI script.	4315657.cif