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Information card for entry 2232015
Preview
| Coordinates | 2232015.cif |
|---|---|
| Structure factors | 2232015.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) trihydrate |
|---|---|
| Formula | C40 H34 Mn N6 O11 |
| Calculated formula | C40 H34 Mn N6 O11 |
| SMILES | [Mn]1234(OC(=O)c5[n]2c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O3.[nH+]1c2c(c(N)c3c1cccc3)cccc2.[nH+]1c2c(c(N)c3c1cccc3)cccc2.O.O.O |
| Title of publication | Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) trihydrate |
| Authors of publication | Eshtiagh-Hosseini, Hossien; Mirzaei, Masoud; Eydizadeh, Ehsan; Yousefi, Zakieh; Molčanov, Krešimir |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1411 - m1412 |
| a | 10.8202 ± 0.0004 Å |
| b | 13.5186 ± 0.0005 Å |
| c | 13.9844 ± 0.0005 Å |
| α | 102.351 ± 0.003° |
| β | 103.466 ± 0.003° |
| γ | 104.868 ± 0.003° |
| Cell volume | 1839.43 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (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 2/23/20. |
2232015.cif 2232015.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. |
2232015.cif 2232015.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232015.cif 2232015.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. | 2232015.cif 2232015.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232015.cif 2232015.hkl |
| 29304 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232015 via cif-deposit CGI script. |
2232015.cif |
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Users of the data should acknowledge the original authors of the
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