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Information card for entry 2232279
Preview
| Coordinates | 2232279.cif |
|---|---|
| Structure factors | 2232279.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua(1,10-phenanthroline)manganese(II)]- μ-adamantane-1,3-dicarboxylato] monohydrate] |
|---|---|
| Formula | C24 H26 Mn N2 O6 |
| Calculated formula | C24 H26 Mn N2 O6 |
| SMILES | [Mn]12([O]=C(O1)C13CC4(CC(C3)CC(C4)C1)C(=O)[O-])([OH2])([n]1c3c4[n]2cccc4ccc3ccc1)OC(=O)C12CC3(C4=[O][Mn]5(O4)([OH2])[n]4c6c7[n]5cccc7ccc6ccc4)CC(C2)CC(C1)C3.O.O |
| Title of publication | <i>catena</i>-Poly[[[aqua(1,10-phenanthroline)manganese(II)]-μ-adamantane-1,3-dicarboxylato] monohydrate] |
| Authors of publication | Liu, Jian-Qiang; Huang, Yun-Sheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1541 - m1542 |
| a | 13.248 ± 0.002 Å |
| b | 18.345 ± 0.003 Å |
| c | 9.3908 ± 0.0017 Å |
| α | 90° |
| β | 105.283 ± 0.003° |
| γ | 90° |
| Cell volume | 2201.6 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.832 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (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 2/23/22. |
2232279.cif 2232279.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. |
2232279.cif 2232279.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232279.cif 2232279.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. | 2232279.cif 2232279.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232279.cif 2232279.hkl |
| 30934 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232279 via cif-deposit CGI script. |
2232279.cif |
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Users of the data should acknowledge the original authors of the
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