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Information card for entry 4339414
Preview
| Coordinates | 4339414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H78 Hf N2 O2 Zr2 |
|---|---|
| Calculated formula | C46 H78 Hf N2 O2 Zr2 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Zr]16782345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)(C)O[Hf](N(C)C)(N(C)C)O[Zr]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C)C)C)C)C)C)C)C)C)C |
| Title of publication | Oxygen-bridged hybrid metallocene-nonmetallocene polymetallic catalysts of group 4 metals for bimodal activity in olefin polymerization: synthesis, characterization, and theoretical investigation. |
| Authors of publication | Mandal, Swadhin K.; Gurubasavaraj, Prabhuodeyara M.; Roesky, Herbert W.; Schwab, Gerald; Stalke, Dietmar; Oswald, Rainer B.; Dolle, Volker |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 24 |
| Pages of publication | 10158 - 10167 |
| a | 14.8318 ± 0.0008 Å |
| b | 18.7743 ± 0.001 Å |
| c | 17.7562 ± 0.0009 Å |
| α | 90° |
| β | 111.051 ± 0.001° |
| γ | 90° |
| Cell volume | 4614.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0234 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179497 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/94. |
4339414.cif |
| 117315 | 2014-06-14 | cif/ Adding structures of 4339413, 4339414 via cif-deposit CGI script. |
4339414.cif |
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Users of the data should acknowledge the original authors of the
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