Crystallography Open Database

Information card for entry 4304412

Preview

Coordinates	4304412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C684 H967 Cl6 Mn27 N335 O135
Calculated formula	C456.24 H192 Cl6 Mn24 N240 O42
Title of publication	Expanded Sodalite-Type Metal-Organic Frameworks: Increased Stability and H2 Adsorption through Ligand-Directed Catenation
Authors of publication	Mircea Dincǎ; Anne Dailly; Charlene Tsay; Jeffrey R. Long
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11 - 13
a	29.135 ± 0.002 Å
b	29.135 ± 0.002 Å
c	29.135 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	24731 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1963
Residual factor for significantly intense reflections	0.1269
Weighted residual factors for significantly intense reflections	0.3748
Weighted residual factors for all reflections included in the refinement	0.3889
Goodness-of-fit parameter for all reflections included in the refinement	5.044
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
179082 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/44.	4304412.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304412.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304412.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304412.cif