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Information card for entry 2232838
Preview
| Coordinates | 2232838.cif |
|---|---|
| Structure factors | 2232838.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[tetrakis(μ-benzene-1,2-dicarboxylato)di-μ-formato-pentastrontium(II)] |
|---|---|
| Formula | C34 H18 O20 Sr5 |
| Calculated formula | C34 H18 O20 Sr5 |
| SMILES | C(=O)(c1ccccc1C(=O)[O-])[O-].[Sr+2].O=C[O-].[Sr+2].C(=O)(c1ccccc1C(=O)[O-])[O-].[Sr+2].C(=O)(c1ccccc1C(=O)[O-])[O-].[Sr+2].O=C[O-].[Sr+2].C(=O)([O-])c1ccccc1C(=O)[O-] |
| Title of publication | Poly[tetrakis(μ-benzene-1,2-dicarboxylato)di-μ-formato-pentastrontium(II)] |
| Authors of publication | Cheng, Pei-Chi; Zhan, Jun-Xiang; Wu, Cheng-You; Lin, Chia-Her |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1647 |
| a | 7.0292 ± 0.0003 Å |
| b | 10.2892 ± 0.0004 Å |
| c | 12.5439 ± 0.0005 Å |
| α | 91.361 ± 0.002° |
| β | 90.407 ± 0.002° |
| γ | 104.998 ± 0.002° |
| Cell volume | 876 ± 0.06 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0569 |
| Weighted residual factors for all reflections included in the refinement | 0.0599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181250 (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 2/23/28. |
2232838.cif 2232838.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. |
2232838.cif 2232838.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232838.cif 2232838.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. | 2232838.cif 2232838.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232838.cif 2232838.hkl |
| 31719 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232838 via cif-deposit CGI script. |
2232838.cif |
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Users of the data should acknowledge the original authors of the
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