Crystallography Open Database

Information card for entry 7006322

Preview

Coordinates	7006322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H228 Fe5 N11 Nd8 O67
Calculated formula	C112 H220 Fe5 N11 Nd8 O67
Title of publication	High-nuclearity 3d‒4f [FeIII5LnIII8] complexes: synthesis, structure and magnetic properties
Authors of publication	Ako, Ayuk M.; Mereacre, Valeriu; Clérac, Rodolphe; Hewitt, Ian J.; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Dalton Transactions
Year of publication	2007
Journal issue	45
Pages of publication	5245
a	16.2521 ± 0.0007 Å
b	18.3484 ± 0.0008 Å
c	29.9621 ± 0.0013 Å
α	92.295 ± 0.001°
β	92.288 ± 0.001°
γ	106.969 ± 0.001°
Cell volume	8526.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0504
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
179767 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/63.	7006322.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006322.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006322.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006322.cif