Crystallography Open Database

Information card for entry 4001668

Preview

Coordinates	4001668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 Fe3 O16
Calculated formula	C42 H24 Fe3 O16
Title of publication	How Interpenetration Ensures Rigidity and Permanent Porosity in a Highly Flexible Hybrid Solid
Authors of publication	Dan-Hardi, Meenakshi; Chevreau, Hubert; Devic, Thomas; Horcajada, Patricia; Maurin, Guillaume; Férey, Gérard; Popov, Dmitry; Riekel, Christian; Wuttke, Stefan; Lavalley, Jean-Claude; Vimont, Alexandre; Boudewijns, Tom; de Vos, Dirk; Serre, Christian
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	13
Pages of publication	2486
a	21.8 ± 0.003 Å
b	21.8 ± 0.003 Å
c	35.407 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	16827 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1172
Residual factor for significantly intense reflections	0.1017
Weighted residual factors for significantly intense reflections	0.2495
Weighted residual factors for all reflections included in the refinement	0.2663
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.9613 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.	4001668.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001668.cif
66224	2012-09-09	cif/ Adding structures of 4001668 via cif-deposit CGI script.	4001668.cif