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Information card for entry 2227623
Preview
| Coordinates | 2227623.cif |
|---|---|
| Structure factors | 2227623.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'- bis[diaqua(1<i>H</i>-imidazo-[4,5-<i>f</i>][1,10]phenanthroline)manganese(II)] dihydrate |
|---|---|
| Formula | C26 H28 Mn2 N8 O14 S2 |
| Calculated formula | C26 H28 Mn2 N8 O14 S2 |
| SMILES | c1ccc2c3c(c4c5[n]([Mn]6([n]1c25)(OS(=O)(=O)O[Mn]1([n]2cccc5c7c(c8ccc[n]1c8c25)nc[nH]7)(OS(=O)(=O)O6)([OH2])[OH2])([OH2])[OH2])ccc4)nc[nH]3.O.O |
| Title of publication | Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'-bis[diaqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)manganese(II)] dihydrate |
| Authors of publication | Yang, Ming-Xing; Lin, Shen; Chen, Li-Juan; Chen, Xiao-Hua |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1115 - m1116 |
| a | 10.467 ± 0.007 Å |
| b | 9.171 ± 0.006 Å |
| c | 17.025 ± 0.011 Å |
| α | 90° |
| β | 98.758 ± 0.012° |
| γ | 90° |
| Cell volume | 1615.2 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (current) | 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 2/22/76. |
2227623.cif 2227623.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227623.cif 2227623.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227623.cif 2227623.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. | 2227623.cif 2227623.hkl |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
2227623.cif 2227623.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227623.cif 2227623.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227623.cif 2227623.hkl |
| 4660 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227623 via cif-deposit CGI script. |
2227623.cif |
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