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Information card for entry 7031310
Preview
| Coordinates | 7031310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 N2 O Sc |
|---|---|
| Calculated formula | C20 H27 N2 O Sc |
| SMILES | CC(C)N1C=CN2C1=[Sc]13456789([cH]%10[cH]1[cH]3[cH]4[cH]5%10)([cH]1[cH]6[cH]7[cH]8[cH]91)OC(C2)(C)C |
| 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 | 16.7257 ± 0.0003 Å |
| b | 8.1039 ± 0.0001 Å |
| c | 13.9844 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1895.49 ± 0.06 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
7031310.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. |
7031310.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. |
7031310.cif |
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Users of the data should acknowledge the original authors of the
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