Crystallography Open Database

Information card for entry 1506841

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Coordinates	1506841.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MIL-74 (Li2Al7)
Formula	C24 H116 Al7 Li3 N16 O64 P12
Calculated formula	C24 Al7.02 Li2.98 N16 O64 P12
Title of publication	Incorporation of Lithium and Sodium in MIL-74 Super-Sodalites: A2M7(PO4)12·4tren·A(H2O)16(with A = Li or Na and M = Al or Ga)
Authors of publication	Loiseau, Thierry; Beitone, Lionel; Huguenard, Clarisse; Taulelle, Francis; Henry, Marc; Férey, Gérard
Journal of publication	The Journal of Physical Chemistry B
Year of publication	2004
Journal volume	108
Journal issue	52
Pages of publication	20011
a	16.6607 ± 0.0001 Å
b	16.6607 ± 0.0001 Å
c	16.6607 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4624.66 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506841.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506841.cif
51480	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506841 via cif-deposit CGI script.	1506841.cif