Crystallography Open Database

Information card for entry 7006321

Preview

Coordinates	7006321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H226 Cl6 Fe5 N9 O66 Pr8
Calculated formula	C111 H226 Cl6 Fe5 N9 O66 Pr8
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	16.1016 ± 0.0009 Å
b	30.7177 ± 0.0018 Å
c	17.9732 ± 0.001 Å
α	90°
β	106.651 ± 0.001°
γ	90°
Cell volume	8516.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	7006321.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006321.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006321.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006321.cif