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Information card for entry 2228346
Preview
| Coordinates | 2228346.cif |
|---|---|
| Structure factors | 2228346.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-2,2'-dimethyl-1,1'-(3-oxapentane-1,5-diyl)di-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato)-κ<i>O</i>; κ^2^<i>O</i>,<i>O</i>'-cobalt(II)] |
|---|---|
| Formula | C72 H72 Co2 N8 O14 |
| Calculated formula | C72 H72 Co2 N8 O14 |
| SMILES | c1(C)[n]2[Co](OC(=O)c3ccc(OC)cc3)(OC(=O)c3ccc(OC)cc3)[n]3c4c(n(CCOCCn5c6ccccc6[n](c5C)[Co]([n]5c(n(CCOCCn1c1ccccc21)c1ccccc51)C)(OC(=O)c1ccc(OC)cc1)OC(=O)c1ccc(OC)cc1)c3C)cccc4 |
| Title of publication | Bis[μ-2,2'-dimethyl-1,1'-(3-oxapentane-1,5-diyl)di-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-cobalt(II)] |
| Authors of publication | Zhao, Lian-Peng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1549 |
| a | 12.4127 ± 0.0003 Å |
| b | 16.3933 ± 0.0004 Å |
| c | 17.6106 ± 0.0005 Å |
| α | 90° |
| β | 109.577 ± 0.003° |
| γ | 90° |
| Cell volume | 3376.34 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0936 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.746 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (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 2/22/83. |
2228346.cif 2228346.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. |
2228346.cif 2228346.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228346.cif 2228346.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. | 2228346.cif 2228346.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228346.cif 2228346.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228346.cif 2228346.hkl |
| 5778 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228342, 2228343, 2228344, 2228345, 2228346, 2228347, 2228348, 2228349, 2228350, 2228351 via cif-deposit CGI script. |
2228346.cif |
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