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Information card for entry 2019612
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| Coordinates | 2019612.cif |
|---|---|
| Structure factors | 2019612.hkl |
| Original IUCr paper | HTML |
| Common name | 7226 |
|---|---|
| Chemical name | <i>catena</i>-Poly[[(18-crown-6)potassium]-μ-[(1,2-η:1,2,3,3a,10a,10b-η)-pyrene]-titanate(I)-μ-[(1,2,3,3a,10a,10b-η:6,7-η)-pyrene]] |
| Formula | C44 H44 K O6 Ti |
| Calculated formula | C44 H44 K O6 Ti |
| Title of publication | Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals |
| Authors of publication | Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| a | 10.3934 ± 0.0013 Å |
| b | 15.682 ± 0.002 Å |
| c | 11.3559 ± 0.0014 Å |
| α | 90° |
| β | 111.084 ± 0.002° |
| γ | 90° |
| Cell volume | 1727 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0663 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019612.cif 2019612.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019612.cif 2019612.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019612.cif 2019612.hkl |
| 119001 | 2014-07-05 | cif/ hkl/ Adding structures of 2019610, 2019611, 2019612 via cif-deposit CGI script. |
2019612.cif 2019612.hkl |
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Users of the data should acknowledge the original authors of the
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