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Information card for entry 1517476
Preview
Coordinates | 1517476.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5.26 H Fe O5.53 |
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Calculated formula | C5.263 H Fe O5.526 |
Title of publication | Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) |
Authors of publication | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. |
Journal of publication | Chem. Sci. |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 12 |
Pages of publication | 4569 |
a | 26.001 ± 0.0005 Å |
b | 26.001 Å |
c | 6.86071 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4016.8 ± 0.14 Å3 |
Cell temperature | 10 K |
Ambient diffraction temperature | 10 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
RFsqd | 0.08444 |
Goodness-of-fit parameter for all reflections | 1.36 |
Method of determination | powder diffraction |
Diffraction radiation probe | neutron |
Diffraction radiation wavelength | 2.4388 Å |
Diffraction radiation type | neutron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517476.cif |
126328 | 2014-11-06 | cif/ Updating files of 1517465, 1517466, 1517467, 1517468, 1517469, 1517470, 1517471, 1517472, 1517473, 1517474, 1517475, 1517476, 1517477, 1517478, 1517479, 1517480, 1517481, 1517482 Original log message: Adding full bibliography for 1517465--1517482.cif. |
1517476.cif |
122582 | 2014-08-29 | cif/ Adding structures of 1517465, 1517466, 1517467, 1517468, 1517469, 1517470, 1517471, 1517472, 1517473, 1517474, 1517475, 1517476, 1517477, 1517478, 1517479, 1517480, 1517481, 1517482 via cif-deposit CGI script. |
1517476.cif |
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Users of the data should acknowledge the original authors of the
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