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Information card for entry 2230437
Preview
| Coordinates | 2230437.cif |
|---|---|
| Structure factors | 2230437.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-(Acetonitrile-κ<i>N</i>)aquabis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) <i>cis</i>-diaquabis(2,2'-bipyrimidine- κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) tetrakis(perchlorate) dihydrate |
|---|---|
| Formula | C34 H37 Cl4 Mn2 N17 O21 |
| Calculated formula | C34 H37 Cl4 Mn2 N17 O21 |
| Title of publication | <i>cis</i>-(Acetonitrile-κ<i>N</i>)aquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) <i>cis</i>-diaquabis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)manganese(II) tetrakis(perchlorate) dihydrate |
| Authors of publication | Ha, Kwang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m656 - m657 |
| a | 12.0386 ± 0.0005 Å |
| b | 13.1878 ± 0.0006 Å |
| c | 17.5378 ± 0.0008 Å |
| α | 111.201 ± 0.003° |
| β | 104.147 ± 0.003° |
| γ | 91.419 ± 0.002° |
| Cell volume | 2497.4 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1833 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.1811 |
| Weighted residual factors for all reflections included in the refinement | 0.2533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181226 (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 2/23/04. |
2230437.cif 2230437.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. |
2230437.cif 2230437.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230437.cif 2230437.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. | 2230437.cif 2230437.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230437.cif 2230437.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230437.cif 2230437.hkl |
| 22423 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230437 via cif-deposit CGI script. |
2230437.cif |
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Users of the data should acknowledge the original authors of the
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