Crystallography Open Database

Information card for entry 4103958

Preview

Coordinates	4103958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 In2 Mg N8 O22
Calculated formula	C20 H4 In2 Mg N8 O22
Title of publication	Zeolite-likeMetal-Organic Frameworks (ZMOFs) as Hydrogen Storage Platform: Lithium and Magnesium Ion-Exchange and H2-(rho-ZMOF) Interaction Studies
Authors of publication	Farid Nouar; Juergen Eckert; Jarrod F. Eubank; Paul Forster; Mohamed Eddaoudi
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2864 - 2870
a	30.984 ± 0.0002 Å
b	30.984 ± 0.0002 Å
c	30.984 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	29744.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1846
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	Synchrotronx-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178785 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/39.	4103958.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103958.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103958.cif
28436	2011-10-27	../uploads/cif-deposit/cod/cif Adding structures of 4103958 via cif-deposit CGI script.	4103958.cif