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Information card for entry 2226714
Preview
| Coordinates | 2226714.cif |
|---|---|
| Structure factors | 2226714.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis[bis(2,2'- bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxido-hexatungstate(VI) |
|---|---|
| Formula | C42 H32 Co2 N8 O23 W6 |
| Calculated formula | C42 H32 Co2 N8 O23 W6 |
| SMILES | c1cccc2c3[n]([Co]45([n]12)([n]1ccccc1c1[n]4cccc1)[O]=C1C(O5)=[O][Co]24([n]5ccccc5c5cccc[n]25)([n]2ccccc2c2[n]4cccc2)O1)cccc3.O=[W]1234O[W]567(O[W]89(O1)(O[W]1%10(O6)(=O)O[W]6(O5)(O2)(=O)O[W]([O]37816)(O%10)(O9)(=O)O4)=O)=O |
| Title of publication | (μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxido-hexatungstate(VI) |
| Authors of publication | Shi, Congwen; Fan, Liming; Wei, Peihai; Li, Bin; Zhang, Xiutang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | m822 - m823 |
| a | 9.4876 ± 0.0015 Å |
| b | 9.8548 ± 0.0015 Å |
| c | 14.174 ± 0.002 Å |
| α | 90.769 ± 0.002° |
| β | 91.576 ± 0.002° |
| γ | 91.113 ± 0.002° |
| Cell volume | 1324.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181188 (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 2/22/67. |
2226714.cif 2226714.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. |
2226714.cif 2226714.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226714.cif 2226714.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. | 2226714.cif 2226714.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226714.cif 2226714.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226714.cif 2226714.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226714.cif |
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