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Information card for entry 2227469
Preview
| Coordinates | 2227469.cif |
|---|---|
| Structure factors | 2227469.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) sulfate hexahydrate |
|---|---|
| Formula | C24 H32 Mn N4 O12 S |
| Calculated formula | C24 H32 Mn N4 O12 S |
| Title of publication | Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) sulfate hexahydrate |
| Authors of publication | Zhang, Chun; Zhu, Hong-lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m1446 - m1447 |
| a | 10.153 ± 0.002 Å |
| b | 12.086 ± 0.002 Å |
| c | 13.309 ± 0.003 Å |
| α | 109.55 ± 0.03° |
| β | 91.79 ± 0.03° |
| γ | 110.56 ± 0.03° |
| Cell volume | 1420.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1413 |
| Weighted residual factors for all reflections included in the refinement | 0.1471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2227469.cif 2227469.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. |
2227469.cif 2227469.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2227469.cif 2227469.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227469.cif 2227469.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. | 2227469.cif 2227469.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227469.cif 2227469.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227469.cif 2227469.hkl |
| 4506 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227469 via cif-deposit CGI script. |
2227469.cif |
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Users of the data should acknowledge the original authors of the
structural data.