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Information card for entry 4073203
Preview
| Coordinates | 4073203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Sc{C5Me4SiMe2(C4H2MeO-2)}(CH2SiMe3)2(THF)] |
|---|---|
| Chemical name | [Sc{C5Me4SiMe2(C4H2MeO-2)}(CH2SiMe3)2(THF)] |
| Formula | C28 H53 O2 Sc Si3 |
| Calculated formula | C28 H53 O2 Sc Si3 |
| SMILES | [Sc]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)[Si](C)(C)c1oc(cc1)C)(C[Si](C)(C)C)(C[Si](C)(C)C)[O]1CCCC1 |
| Title of publication | Ring-Opening of a Furyl Group Appended to the Cyclopentadienyl Ligand in Rare-Earth Metal Half-Sandwich Complexes |
| Authors of publication | Hitzbleck, Julia; Okuda, Jun |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 13 |
| Pages of publication | 3227 |
| a | 10.7107 ± 0.0011 Å |
| b | 15.9708 ± 0.0016 Å |
| c | 20.006 ± 0.002 Å |
| α | 90° |
| β | 104.203 ± 0.002° |
| γ | 90° |
| Cell volume | 3317.6 ± 0.6 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 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 | 0.0358 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| 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 |
|---|---|---|---|
| 178621 (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 4/07/32. |
4073203.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073203.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073203.cif |
| 46220 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073202, 4073203, 4073204 via cif-deposit CGI script. |
4073203.cif |
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Users of the data should acknowledge the original authors of the
structural data.