Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070550
Preview
| Coordinates | 4070550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H84 Fe2 K N4 Sc Si4 |
|---|---|
| Calculated formula | C51 H84 Fe2 K N4 Sc Si4 |
| SMILES | [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)N([Sc]1(N([Si](C)(C)C(C)(C)C)[c]29[cH]5[cH]6[cH]7[cH]82)N([Si](C)(C)C(C)(C)C)[c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[cH]2[c]%10(N1[Si](C)(C)C(C)(C)C)[cH]9[cH]8[cH]72)[Si](C)(C)C(C)(C)C.[K+].c1cccc(C)c1 |
| Title of publication | Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand |
| Authors of publication | Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 3 |
| Pages of publication | 363 |
| a | 13.554 ± 0.003 Å |
| b | 19.352 ± 0.004 Å |
| c | 20.878 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5476 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0848 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05. |
4070550.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070550.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070550.cif |
| 42556 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070549, 4070550, 4070551, 4070552, 4070553, 4070554, 4070555 via cif-deposit CGI script. |
4070550.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.