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Information card for entry 2225738
Preview
| Coordinates | 2225738.cif |
|---|---|
| Structure factors | 2225738.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[bis(μ-4-hydroxybenzoato)bis[(4- hydroxybenzoato)manganese(II)]]- di-μ-4,4'-bipyridine] 4,4'-bipyridine disolvate tetrahydrate] |
|---|---|
| Formula | C34 H30 Mn N4 O8 |
| Calculated formula | C34 H30 Mn N4 O8 |
| SMILES | [Mn]123([O]=C(O1)c1ccc(O)cc1)([O]=C(O[Mn]1([O]=C(O1)c1ccc(O)cc1)([O]=C(O2)c1ccc(O)cc1)([n]1ccc(cc1)c1ccncc1)[n]1ccc(c2cc[n]([Mn]45([O]=C(O[Mn]6([O]=C(O6)c6ccc(O)cc6)([n]6ccc(cc6)c6cc[n]3cc6)[O]=C(O5)c3ccc(O)cc3)c3ccc(O)cc3)[O]=C(O4)c3ccc(O)cc3)cc2)cc1)c1ccc(O)cc1)[n]1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1 |
| Title of publication | <i>catena</i>-Poly[[[bis(μ-4-hydroxybenzoato)bis[(4-hydroxybenzoato)manganese(II)]]-di-μ-4,4'-bipyridine] 4,4'-bipyridine disolvate tetrahydrate] |
| Authors of publication | Zhao, Qi-Hua; Zhao, Lei; Wang, Kun-Miao; Zhou, Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m358 |
| a | 18.1031 ± 0.0017 Å |
| b | 11.6448 ± 0.0011 Å |
| c | 31.771 ± 0.003 Å |
| α | 90° |
| β | 104.957 ± 0.001° |
| γ | 90° |
| Cell volume | 6470.6 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.114 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181178 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/57. |
2225738.cif 2225738.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225738.cif 2225738.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225738.cif 2225738.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. | 2225738.cif 2225738.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225738.cif 2225738.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225738.cif 2225738.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225738.cif |
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