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Information card for entry 2234334
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| Coordinates | 2234334.cif |
|---|---|
| Structure factors | 2234334.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate |
|---|---|
| Formula | C40 H34 N6 O11 Zn |
| Calculated formula | C40 H34 N6 O11 Zn |
| SMILES | [Zn]1234([n]5c(C(=O)O3)cccc5C(=O)O1)[n]1c(C(=O)O2)cccc1C(=O)O4.[nH+]1c2c(cccc2)c(c2c1cccc2)N.O.c12[nH+]c3c(c(N)c1cccc2)cccc3.O.O |
| Title of publication | Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate |
| Authors of publication | Mirzaei, M.; Eshtiagh-Hosseini, H.; Eydizadeh, E.; Yousefi, Z.; Molčanov, K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m355 - m356 |
| a | 10.8763 ± 0.0003 Å |
| b | 13.3802 ± 0.0003 Å |
| c | 13.992 ± 0.0004 Å |
| α | 102.359 ± 0.002° |
| β | 103.585 ± 0.002° |
| γ | 105.137 ± 0.002° |
| Cell volume | 1826.44 ± 0.09 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 | 0.0323 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234334.cif 2234334.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. |
2234334.cif 2234334.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234334.cif 2234334.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. | 2234334.cif 2234334.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234334.cif 2234334.hkl |
| 55605 | 2012-05-05 | cif/ Adding structures of 2234334 via cif-deposit CGI script. |
2234334.cif |
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Users of the data should acknowledge the original authors of the
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