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Information card for entry 2233007
Preview
| Coordinates | 2233007.cif |
|---|---|
| Structure factors | 2233007.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>cis</i>-Diaquabis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) bis(perchlorate) nitromethane disolvate monohydrate |
|---|---|
| Formula | C18 H24 Cl2 Mn N10 O15 |
| Calculated formula | C18 H24 Cl2 Mn N10 O15 |
| Title of publication | <i>cis</i>-Diaquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) bis(perchlorate) nitromethane disolvate monohydrate |
| Authors of publication | Ha, Kwang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1679 - m1680 |
| a | 21.913 ± 0.003 Å |
| b | 9.1956 ± 0.0014 Å |
| c | 15.106 ± 0.002 Å |
| α | 90° |
| β | 101.756 ± 0.003° |
| γ | 90° |
| Cell volume | 2980.1 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0977 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1625 |
| Weighted residual factors for all reflections included in the refinement | 0.1992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2233007.cif 2233007.hkl |
| 181252 | 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 2/23/30. |
2233007.cif 2233007.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. |
2233007.cif 2233007.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233007.cif 2233007.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. | 2233007.cif 2233007.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233007.cif 2233007.hkl |
| 31900 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233007 via cif-deposit CGI script. |
2233007.cif |
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Users of the data should acknowledge the original authors of the
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