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Information card for entry 2239265
Preview
| Coordinates | 2239265.cif |
|---|---|
| Structure factors | 2239265.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) methanol monosolvate |
|---|---|
| Formula | C44 H31 Cl2 Cu Mn N7 O5 |
| Calculated formula | C44 H31 Cl2 Cu Mn N7 O5 |
| SMILES | [Mn]123(Cl)(OC(=O)c4[n]2c(C(=O)O1)ccc4)[n]1c2c4[n]3cccc4ccc2ccc1.[Cu]12(Cl)([n]3c4c5[n]1cccc5ccc4ccc3)[n]1c3c4[n]2cccc4ccc3ccc1.OC |
| Title of publication | Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) methanol monosolvate |
| Authors of publication | Buvailo, Halyna I.; Rusanova, Julia A.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Zubatyuk, Roman I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | m147 - m148 |
| a | 10.368 ± 0.0004 Å |
| b | 12.5332 ± 0.0004 Å |
| c | 17.2709 ± 0.0006 Å |
| α | 72.966 ± 0.003° |
| β | 74.709 ± 0.003° |
| γ | 89.262 ± 0.003° |
| Cell volume | 2064.79 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181892 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239265.cif 2239265.hkl |
| 181311 | 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 2/23/92. |
2239265.cif 2239265.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. |
2239265.cif 2239265.hkl |
| 108837 | 2014-04-03 | cif/ hkl/ Adding structures of 2239265 via cif-deposit CGI script. |
2239265.cif 2239265.hkl |
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