Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228679
Preview
| Coordinates | 2228679.cif |
|---|---|
| Structure factors | 2228679.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Decanedioato-bis[aquabis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II)] dinitrate‒sebacic acid‒water (1/1/2) |
|---|---|
| Formula | C68 H74 Mn2 N10 O18 |
| Calculated formula | C68 H74 Mn2 N10 O18 |
| Title of publication | μ-Decanedioato-bis[aquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)] dinitrate‒sebacic acid‒water (1/1/2) |
| Authors of publication | Feng, Ye-Qiang; Long, Jian; Li, Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | m80 - m81 |
| a | 11.6712 ± 0.0003 Å |
| b | 12.5316 ± 0.0003 Å |
| c | 12.8561 ± 0.0003 Å |
| α | 76.678 ± 0.001° |
| β | 66.845 ± 0.001° |
| γ | 81.971 ± 0.001° |
| Cell volume | 1679.79 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181207 (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 2/22/86. |
2228679.cif 2228679.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. |
2228679.cif 2228679.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228679.cif 2228679.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. | 2228679.cif 2228679.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228679.cif 2228679.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228679.cif 2228679.hkl |
| 9811 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228679 via cif-deposit CGI script. |
2228679.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.