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Information card for entry 2017884
Preview
| Coordinates | 2017884.cif |
|---|---|
| Structure factors | 2017884.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl- 2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate |
|---|---|
| Formula | C46 H48 Mn N12 O14 |
| Calculated formula | C46 H48 Mn N12 O14 |
| SMILES | c1(ccccc1c1ccc(cc1)C(=O)[O-])C(=O)O[Mn]12([n]3c([nH]cc3)c3[n]1cc[nH]3)([n]1c([nH]cc1)c1[n]2cc[nH]1)OC(=O)c1ccccc1c1ccc(cc1)C(=O)[O-].[nH]1cc[nH+]c1c1[nH]cc[nH+]1.O.O.O.O.O.O |
| Title of publication | A three-dimensional framework in 2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl-2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate |
| Authors of publication | Wang, Zi-Liang; Wei, Lin-heng; Li, Ming-Xue |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m387 - m390 |
| a | 7.278 ± 0.001 Å |
| b | 11.977 ± 0.002 Å |
| c | 14.268 ± 0.001 Å |
| α | 81.31 ± 0.002° |
| β | 76.269 ± 0.001° |
| γ | 85.793 ± 0.001° |
| Cell volume | 1193.4 ± 0.3 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 | 0.0573 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/78. |
2017884.cif 2017884.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2017884.cif 2017884.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017884.cif 2017884.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. | 2017884.cif 2017884.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017884.cif 2017884.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2017884.cif 2017884.hkl |
| 5759 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2017876, 2017877, 2017878, 2017879, 2017880, 2017881, 2017882, 2017883, 2017884, 2017885 via cif-deposit CGI script. |
2017884.cif |
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