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Information card for entry 7032577
Preview
| Coordinates | 7032577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H36 Si Zr |
|---|---|
| Calculated formula | C23 H36 Si Zr |
| SMILES | [cH]12[cH]3[cH]4[cH]5[Zr]6789%10%11134([c]1([Si](C)(C)C)[c]6([c]7(C(C)C)[c]%11([c]%101C)C(C)C)C)[cH]2[cH]8[cH]59 |
| Title of publication | How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands. |
| Authors of publication | Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 42 |
| Pages of publication | 15818 - 15828 |
| a | 14.3913 ± 0.0002 Å |
| b | 14.1131 ± 0.0002 Å |
| c | 21.5608 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4379.12 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c a |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180031 (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 7/03/25. |
7032577.cif |
| 126504 | 2014-11-06 | cif/ Updating files of 7032574, 7032575, 7032576, 7032577, 7032578 Original log message: Adding full bibliography for 7032574--7032578.cif. |
7032577.cif |
| 123838 | 2014-09-16 | cif/ Adding structures of 7032574, 7032575, 7032576, 7032577, 7032578 via cif-deposit CGI script. |
7032577.cif |
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