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Information card for entry 7032578
Preview
| Coordinates | 7032578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H26 |
|---|---|
| Calculated formula | C35 H26 |
| SMILES | C1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| 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 | 24.3208 ± 0.0008 Å |
| b | 6.2097 ± 0.0002 Å |
| c | 31.4383 ± 0.001 Å |
| α | 90° |
| β | 93.649 ± 0.003° |
| γ | 90° |
| Cell volume | 4738.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
7032578.cif |
| 126504 | 2014-11-06 | cif/ Updating files of 7032574, 7032575, 7032576, 7032577, 7032578 Original log message: Adding full bibliography for 7032574--7032578.cif. |
7032578.cif |
| 123838 | 2014-09-16 | cif/ Adding structures of 7032574, 7032575, 7032576, 7032577, 7032578 via cif-deposit CGI script. |
7032578.cif |
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Users of the data should acknowledge the original authors of the
structural data.