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Information card for entry 4068576
Preview
| Coordinates | 4068576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H64 Si2 Ti |
|---|---|
| Calculated formula | C38 H64 Si2 Ti |
| SMILES | [C]1(#[C]([Ti]234567891([c]1([cH]5[cH]4[cH]3[cH]21)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)[c]1([cH]9[cH]8[cH]7[cH]61)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Synthesis and Characterization of Chiral Group 4 Metallocene Alkyne Complexes: (η5-menthyl-C5H4)2M(η2-Me3SiC2SiMe3), M = Ti, Zr⊥ |
| Authors of publication | Klahn, Marcus; Baumann, Wolfgang; Arndt, Perdita; Burlakov, Vladimir V.; Schareina, Thomas; Spannenberg, Anke; Rosenthal, Uwe |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 3 |
| Pages of publication | 915 |
| a | 15.75 ± 0.003 Å |
| b | 9.6744 ± 0.0019 Å |
| c | 15.032 ± 0.003 Å |
| α | 90° |
| β | 121.43 ± 0.03° |
| γ | 90° |
| Cell volume | 1954.4 ± 0.9 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178575 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85. |
4068576.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068576.cif |
| 39885 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068576, 4068577, 4068578 via cif-deposit CGI script. |
4068576.cif |
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