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Information card for entry 7019080
Preview
| Coordinates | 7019080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 Zr |
|---|---|
| Calculated formula | C28 H34 Zr |
| SMILES | [Zr]123456789%10([cH]%11[cH]6[cH]5[cH]4[cH]3[cH]2[cH]1%11)[c]1([cH]7[c]8([c]29[c]%101cccc2)C1CCCCC1)C1CCCCC1 |
| Title of publication | How big is a Cp? Cycloheptatrienyl zirconium complexes with bulky cyclopentadienyl and indenyl ligands. |
| Authors of publication | Glöckner, Andreas; Bauer, Heiko; Maekawa, Miyuki; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Sun, Yu; Sitzmann, Helmut; Tamm, Matthias; Walter, Marc D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 22 |
| Pages of publication | 6614 - 6624 |
| a | 13.6123 ± 0.0008 Å |
| b | 21.0921 ± 0.0012 Å |
| c | 16.3638 ± 0.001 Å |
| α | 90° |
| β | 106.805 ± 0.006° |
| γ | 90° |
| Cell volume | 4497.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1137 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288643 (current) | 2024-01-03 | Changed data name '_iucr_refine_instructions' to '_iucr_refine_instructions_details' in multiple entries. |
7019080.cif |
| 179894 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/90. |
7019080.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019080.cif |
| 60433 | 2012-06-14 | cif/ Adding structures of 7019076, 7019077, 7019078, 7019079, 7019080, 7019081 via cif-deposit CGI script. |
7019080.cif |
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Users of the data should acknowledge the original authors of the
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