Crystallography Open Database

Information card for entry 7000343

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Coordinates	7000343.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	included ferrocene in MIL-53(Al)
Formula	C52 Al4 Fe2 O20
Calculated formula	C52 Al4 Fe2 O20
Title of publication	The adsorbate structure of ferrocene inside [Al(OH)(bdc)]x (MIL-53): a powder X-ray diffraction study
Authors of publication	Meilikhov, Mikhail; Yusenko, Kirill; Fischer, Roland A.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	4
Pages of publication	600
a	6.623 ± 0.002 Å
b	16.893 ± 0.003 Å
c	12.592 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1408.8 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0712
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179681 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03.	7000343.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000343.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000343.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000343.cif