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Information card for entry 2237103
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| Coordinates | 2237103.cif |
|---|---|
| Structure factors | 2237103.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua(glycine-κ<i>O</i>)lithium]-μ-glycine- κ^2^<i>O</i>:<i>O</i>'] bromide] |
|---|---|
| Formula | C4 H12 Br Li N2 O5 |
| Calculated formula | C4 H12 Br Li N2 O5 |
| SMILES | [Li]([OH2])(OC(=O)C[NH3+])OC(C[NH3+])=[O][Li]([OH2])(OC(=O)C[NH3+])OC(C[NH3+])=O.[Br-].[Br-] |
| Title of publication | <i>catena</i>-Poly[[[aqua(glycine-κ<i>O</i>)lithium]-μ-glycine-κ^2^<i>O</i>:<i>O</i>'] bromide] |
| Authors of publication | Balakrishnan, T.; Ramamurthi, K.; Jeyakanthan, J.; Thamotharan, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m60 - m61 |
| a | 7.5396 ± 0.0006 Å |
| b | 17.4173 ± 0.0014 Å |
| c | 8.2726 ± 0.0012 Å |
| α | 90° |
| β | 118.138 ± 0.007° |
| γ | 90° |
| Cell volume | 957.96 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181293 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/71. |
2237103.cif 2237103.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237103.cif 2237103.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237103.cif 2237103.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237103.cif 2237103.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237103.cif 2237103.hkl |
| 73311 | 2013-02-20 | cif/ Adding structures of 2237103 via cif-deposit CGI script. |
2237103.cif |
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Users of the data should acknowledge the original authors of the
structural data.