Crystallography Open Database

Information card for entry 4104763

Preview

Coordinates	4104763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H24 In8 N36 O50
Calculated formula	C64.248 H21.912 In8 N34.13 O49.416
Title of publication	Exceptional Stability and High Hydrogen Uptake in Hydrogen-Bonded Metal-Organic Cubes Possessing ACO and AST Zeolite-like Topologies
Authors of publication	Dorina F. Sava; Victor Ch. Kravtsov; Juergen Eckert; Jarrod F. Eubank; Farid Nouar; Mohamed Eddaoudi
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10394 - 10396
a	20.195 ± 0.003 Å
b	20.195 ± 0.003 Å
c	20.195 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8236 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.1274
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178793 (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 4/10/47.	4104763.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104763.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104763.cif
29793	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104763 via cif-deposit CGI script.	4104763.cif