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Information card for entry 7031311
Preview
| Coordinates | 7031311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H35 Ce N2 O2 |
|---|---|
| Calculated formula | C24 H35 Ce N2 O2 |
| SMILES | [Ce]123456789(OC(CN%10C=1N(C=C%10)C(C)C)(C)C)([O]1CCCC1)([cH]1[cH]9[cH]2[cH]3[cH]41)[cH]1[cH]8[cH]7[cH]6[cH]51 |
| Title of publication | Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds. |
| Authors of publication | Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 38 |
| Pages of publication | 14346 - 14358 |
| a | 10.3917 ± 0.0011 Å |
| b | 16.4222 ± 0.0004 Å |
| c | 15.567 ± 0.003 Å |
| α | 90° |
| β | 108.53 ± 0.02° |
| γ | 90° |
| Cell volume | 2518.9 ± 0.6 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0753 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180019 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/13. |
7031311.cif |
| 124709 | 2014-10-06 | cif/ Updating files of 7031309, 7031310, 7031311, 7031312, 7031313, 7031314, 7031315, 7031316, 7031317, 7031318, 7031319 Original log message: Adding full bibliography for 7031309--7031319.cif. |
7031311.cif |
| 116491 | 2014-06-13 | cif/ Adding structures of 7031309, 7031310, 7031311, 7031312, 7031313, 7031314, 7031315, 7031316, 7031317, 7031318, 7031319 via cif-deposit CGI script. |
7031311.cif |
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