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Information card for entry 2230983
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| Coordinates | 2230983.cif |
|---|---|
| Structure factors | 2230983.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ-3,5-dinitrobenzoato)(μ-3,5-dinitrobenzoic acid)rubidium] |
|---|---|
| Formula | C14 H7 N4 O12 Rb |
| Calculated formula | C14 H7 N4 O12 Rb |
| SMILES | [Rb+].[O-]C(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O.OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O |
| Title of publication | Poly[(μ-3,5-dinitrobenzoato)(μ-3,5-dinitrobenzoic acid)rubidium] |
| Authors of publication | Miao, Yanqing; Fan, Tao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1040 |
| a | 9.4823 ± 0.0008 Å |
| b | 9.8136 ± 0.0008 Å |
| c | 11.4929 ± 0.0011 Å |
| α | 68.425 ± 0.001° |
| β | 83.821 ± 0.001° |
| γ | 67.538 ± 0.001° |
| Cell volume | 918.42 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181231 (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 2/23/09. |
2230983.cif 2230983.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. |
2230983.cif 2230983.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230983.cif 2230983.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. | 2230983.cif 2230983.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2230983.cif 2230983.hkl |
| 26873 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2230983 via cif-deposit CGI script. |
2230983.cif |
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Users of the data should acknowledge the original authors of the
structural data.