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Information card for entry 2237136
Preview
| Coordinates | 2237136.cif |
|---|---|
| Structure factors | 2237136.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate |
|---|---|
| Formula | C32 H40 Mn N8 O15 |
| Calculated formula | C32 H40 Mn N8 O15 |
| SMILES | [Mn]123456(OC(=O)c7[n]3c3c(cc7)ccc7c3[n]4c(cc7)C(=O)O1)OC(=O)c1[n]5c3c(cc1)ccc1c3[n]6c(cc1)C(=O)O2.[NH2+]=C(N)C.[NH2+]=C(N)C.O.O.O.O.O.O.O |
| Title of publication | Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate |
| Authors of publication | Miao, Yan-Li; Wang, Hong-Bo; Song, Wen-Dong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m10 - m11 |
| a | 9.633 ± 0.0006 Å |
| b | 13.8174 ± 0.0007 Å |
| c | 15.4828 ± 0.0008 Å |
| α | 66.151 ± 0.005° |
| β | 78.949 ± 0.005° |
| γ | 75.397 ± 0.005° |
| Cell volume | 1814.56 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237136.cif 2237136.hkl |
| 181293 | 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 2/23/71. |
2237136.cif 2237136.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. |
2237136.cif 2237136.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237136.cif 2237136.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. | 2237136.cif 2237136.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237136.cif 2237136.hkl |
| 73355 | 2013-02-20 | cif/ Adding structures of 2237136 via cif-deposit CGI script. |
2237136.cif |
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Users of the data should acknowledge the original authors of the
structural data.