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Information card for entry 4304412
Preview
Coordinates | 4304412.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C684 H967 Cl6 Mn27 N335 O135 |
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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 Fobs | No |
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 |
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Users of the data should acknowledge the original authors of the
structural data.