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Information card for entry 2228056
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| Coordinates | 2228056.cif |
|---|---|
| Structure factors | 2228056.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(2,2'-bipyridine)nickel(II) hexamolybdate |
|---|---|
| Formula | C30 H24 Mo6 N6 Ni O19 |
| Calculated formula | C30 H24 Mo6 N6 Ni O19 |
| SMILES | c1cccc2c3cccc[n]3[Ni]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1c(c2cccc[n]42)cccc1.[Mo]1234(=O)O[Mo]567(=O)O[Mo]89%10(=O)O[Mo]%11(=O)(O6)(O1)O[Mo]1(=O)(O9)(O[Mo](=O)(O5)(O2)(O8)[O]47%10%111)O3 |
| Title of publication | Tris(2,2'-bipyridine)nickel(II) hexamolybdate |
| Authors of publication | Fan, Liming; Wei, Peihai; Pang, Shuming; Zhang, Xiutang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1119 |
| a | 12.3549 ± 0.0007 Å |
| b | 18.9866 ± 0.001 Å |
| c | 17.1974 ± 0.0009 Å |
| α | 90° |
| β | 101.114 ± 0.001° |
| γ | 90° |
| Cell volume | 3958.5 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (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 2/22/80. |
2228056.cif 2228056.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. |
2228056.cif 2228056.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228056.cif 2228056.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. | 2228056.cif 2228056.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228056.cif 2228056.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228056.cif 2228056.hkl |
| 5093 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228056 via cif-deposit CGI script. |
2228056.cif |
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Users of the data should acknowledge the original authors of the
structural data.