Crystallography Open Database

Information card for entry 7001219

Preview

Coordinates	7001219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.5 H22 Fe3 Mn O29
Calculated formula	C12.51 H15 Fe3 Mn O28.99
Title of publication	Porous 2D coordination polymeric formate built up by Mn(ii) linking of Fe3O units: influence of guest molecules on magnetic properties
Authors of publication	Lytvynenko, Anton S.; Kolotilov, Sergey V.; Cador, Olivier; Gavrilenko, Konstantin S.; Golhen, Stéphane; Ouahab, Lahcène; Pavlishchuk, Vitaly V.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	18
Pages of publication	3503 - 3509
a	12.369 ± 0.005 Å
b	12.369 ± 0.005 Å
c	12.992 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	1721.4 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7001219.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001219.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001219.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001219.cif