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Information card for entry 2105679
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Coordinates | 2105679.cif |
---|---|
Original IUCr paper | HTML |
Common name | lithium iodoacetate |
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Chemical name | iodoacetic acid, lithium salt |
Formula | C2 H2 I Li O2 |
Calculated formula | C2 I Li O2 |
SMILES | [Li]1OC(CI)=[O][Li]2[O]1C(CI)=[O][Li]1[O]2C(CI)=[O][Li][O]1C(CI)=[O] |
Title of publication | Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction |
Authors of publication | Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 4 |
Pages of publication | 517 - 524 |
a | 10.1812 ± 0.001 Å |
b | 4.8922 ± 0.0008 Å |
c | 9.0468 ± 0.001 Å |
α | 90° |
β | 93.251 ± 0.005° |
γ | 90° |
Cell volume | 449.88 ± 0.1 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Goodness-of-fit parameter for all reflections | 2.03 |
Diffraction radiation wavelength | 1.2006 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
190398 (current) | 2017-01-11 | cif/2/ (antanas@echidna.ibt.lt) Adding the _atom_type_symbol data item to the _atom_type loop in entries 2005110, 2006000, 2009442, 2009597, 2009598, 2009599, 2009601, 2009602, 2009846, 2009855, 2105679, 2215977, 2005600. The values of the _atom_type_symbol data item were inferred from the _atom_site_type_symbol and _atom_site_label data items. |
2105679.cif |
176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105679.cif |
90955 | 2013-11-21 | cif/ Adding structures of 2105677, 2105678, 2105679 via cif-deposit CGI script. |
2105679.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.