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Information card for entry 2240116
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| Coordinates | 2240116.cif |
|---|---|
| Structure factors | 2240116.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Poly[[μ~3~-4,4'-(4,4'-bipyridine-2,6-diyl)dibenzoato]{μ~2~-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-4'-ium-2-yl]benzoato}manganese(II)] hemihydrate] |
|---|---|
| Formula | C96 H62 Mn2 N8 O17 |
| Calculated formula | C96 H62 Mn2 N8 O17 |
| Title of publication | Crystal structure of poly[[μ~3~-4,4'-(4,4'-bipyridine-2,6-diyl)dibenzoato]{μ~2~-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-4'-ium-2-yl]benzoato}manganese(II)] hemihydrate] |
| Authors of publication | Li, Yaping; Sun, Dajun; Ming, Julia; Han, Liying; Su, Guanfang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | m374 - m375 |
| a | 26.6396 ± 0.0013 Å |
| b | 12.9853 ± 0.0006 Å |
| c | 23.2326 ± 0.0011 Å |
| α | 90° |
| β | 108.696 ± 0.001° |
| γ | 90° |
| Cell volume | 7612.6 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0856 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.166 |
| Weighted residual factors for all reflections included in the refinement | 0.1841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240116.cif 2240116.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240116.cif 2240116.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240116.cif 2240116.hkl |
| 125898 | 2014-10-26 | cif/ hkl/ Adding structures of 2240116 via cif-deposit CGI script. |
2240116.cif 2240116.hkl |
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