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Information card for entry 2225655
Preview
| Coordinates | 2225655.cif |
|---|---|
| Structure factors | 2225655.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1<i>H</i>-benzimidazole)- κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato- κ^2^<i>O</i>,<i>O</i>')cadmium(II)] |
|---|---|
| Formula | C72 H72 Cd2 N8 O14 |
| Calculated formula | C72 H72 Cd2 N8 O14 |
| SMILES | C1(=[O][Cd]23([n]4c(n(c5c4cccc5)CCOCCn4c([n](c5c4cccc5)[Cd]45([O]=C(c6ccc(cc6)OC)O4)([O]=C(O5)c4ccc(OC)cc4)[n]4c(n(c5c4cccc5)CCOCCn4c([n]3c3c4cccc3)C)C)C)C)(O1)[O]=C(c1ccc(cc1)OC)O2)c1ccc(OC)cc1 |
| Title of publication | Bis[μ-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1<i>H</i>-benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[bis(4-methoxybenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)] |
| Authors of publication | Zhao, Dian-Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m430 |
| a | 9.0379 ± 0.0005 Å |
| b | 13.813 ± 0.0008 Å |
| c | 13.9361 ± 0.0006 Å |
| α | 88.143 ± 0.004° |
| β | 86.539 ± 0.004° |
| γ | 74.863 ± 0.004° |
| Cell volume | 1676.11 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0683 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0488 |
| Weighted residual factors for all reflections included in the refinement | 0.0511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.849 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181177 (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 2/22/56. |
2225655.cif 2225655.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. |
2225655.cif 2225655.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225655.cif 2225655.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. | 2225655.cif 2225655.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225655.cif 2225655.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225655.cif 2225655.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225655.cif |
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