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Information card for entry 2238369
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| Coordinates | 2238369.cif |
|---|---|
| Structure factors | 2238369.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(η^5^-pentamethylcyclopentadienyl)barium |
|---|---|
| Formula | C30 H38 Ba N2 |
| Calculated formula | C30 H38 Ba N2 |
| Title of publication | (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(η^5^-pentamethylcyclopentadienyl)barium |
| Authors of publication | Kazhdan, Daniel; Rozenel, Sergio S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m429 |
| a | 15.551 ± 0.007 Å |
| b | 17.022 ± 0.007 Å |
| c | 20.865 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5523 ± 4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192353 (current) | 2017-02-20 | cif/2/23/83/ (antanas@kurmis) Marking atoms 'CT01' and 'CT02' as dummy atoms in entry 2238369. |
2238369.cif 2238369.hkl |
| 181305 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238369.cif 2238369.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238369.cif 2238369.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238369.cif 2238369.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238369.cif 2238369.hkl |
| 88211 | 2013-09-04 | cif/ Adding structures of 2238369 via cif-deposit CGI script. |
2238369.cif |
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