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Information card for entry 2239106
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| Coordinates | 2239106.cif |
|---|---|
| Structure factors | 2239106.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(μ~2~-isopropylimido-κ^2^<i>N</i>:<i>N</i>)bis[(η^5^-cyclopentadienyl)(ethenolato-κ<i>O</i>)titanium(IV)] |
|---|---|
| Formula | C20 H30 N2 O2 Ti2 |
| Calculated formula | C20 H30 N2 O2 Ti2 |
| SMILES | C(=C)O[Ti]123456(N(C(C)C)[Ti]789%106([cH]6[cH]7[cH]8[cH]9[cH]%106)(N4C(C)C)OC=C)[cH]4[cH]1[cH]2[cH]3[cH]54 |
| Title of publication | Bis(μ~2~-isopropylimido-κ^2^<i>N</i>:<i>N</i>)bis[(η^5^-cyclopentadienyl)(ethenolato-κ<i>O</i>)titanium(IV)] |
| Authors of publication | Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | m16 |
| a | 13.8746 ± 0.0004 Å |
| b | 9.7484 ± 0.0002 Å |
| c | 16.3264 ± 0.0004 Å |
| α | 90° |
| β | 106.593 ± 0.002° |
| γ | 90° |
| Cell volume | 2116.27 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0261 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239106.cif 2239106.hkl |
| 181310 | 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 2/23/91. |
2239106.cif 2239106.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. |
2239106.cif 2239106.hkl |
| 104995 | 2014-03-11 | cif/ hkl/ Adding structures of 2239106 via cif-deposit CGI script. |
2239106.cif 2239106.hkl |
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