Crystallography Open Database

Information card for entry 4001058

Preview

Coordinates	4001058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C306 H102 Al51 O374
Calculated formula	C306 H102 Al51 O374
Title of publication	Synthesis, Single-Crystal X-ray Microdiffraction, and NMR Characterizations of the Giant Pore Metal-Organic Framework Aluminum Trimesate MIL-100
Authors of publication	Volkringer, Christophe; Popov, Dimitry; Loiseau, Thierry; Férey, Gérard; Burghammer, Manfred; Riekel, Christian; Haouas, Mohamed; Taulelle, Francis
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	24
Pages of publication	5695
a	71.687 ± 0.003 Å
b	71.687 ± 0.003 Å
c	71.687 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	368401 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.2279
Residual factor for significantly intense reflections	0.1744
Weighted residual factors for significantly intense reflections	0.4014
Weighted residual factors for all reflections included in the refinement	0.4298
Goodness-of-fit parameter for all reflections included in the refinement	1.441
Diffraction radiation wavelength	0.9612 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001058.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001058.cif
38949	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001058 via cif-deposit CGI script.	4001058.cif