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Information card for entry 2227472
Preview
| Coordinates | 2227472.cif |
|---|---|
| Structure factors | 2227472.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[(2-aminophenyl)methanol-κ^2^<i>O</i>,<i>N</i>]bis(nitrato- κ<i>O</i>)manganese(II) |
|---|---|
| Formula | C14 H18 Mn N4 O8 |
| Calculated formula | C14 H18 Mn N4 O8 |
| SMILES | C1c2ccccc2[NH2][Mn]2([OH]1)(ON(=O)=O)([NH2]c1c(C[OH]2)cccc1)ON(=O)=O |
| Title of publication | Bis[(2-aminophenyl)methanol-κ^2^<i>O</i>,<i>N</i>]bis(nitrato-κ<i>O</i>)manganese(II) |
| Authors of publication | Esmhosseini, Majid; Maleki, Shahrzad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1052 |
| a | 23.374 ± 0.002 Å |
| b | 10.1929 ± 0.0012 Å |
| c | 7.3336 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1747.2 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2227472.cif 2227472.hkl |
| 181195 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/74. |
2227472.cif 2227472.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2227472.cif 2227472.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227472.cif 2227472.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. | 2227472.cif 2227472.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227472.cif 2227472.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227472.cif 2227472.hkl |
| 4509 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227472 via cif-deposit CGI script. |
2227472.cif |
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Users of the data should acknowledge the original authors of the
structural data.