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Information card for entry 4066516
Preview
| Coordinates | 4066516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 Fe O2 |
|---|---|
| Calculated formula | C16 H18 Fe O2 |
| SMILES | [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@H](C)C[C@H]([c]15[cH]6[cH]7[cH]8[cH]91)C(=O)OC.[Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@H](C)C[C@@H]([c]15[cH]6[cH]7[cH]8[cH]91)C(=O)OC |
| Title of publication | Developing a Reliable Synthetic Route tocis-1,3-Bridge-Disubstituted [3]Ferrocenophane Systems |
| Authors of publication | Usener, Carolin; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Mück-Lichtenfeld, Christian; Erker, Gerhard |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 17 |
| Pages of publication | 3852 |
| a | 7.3326 ± 0.0002 Å |
| b | 23.931 ± 0.0005 Å |
| c | 15.6434 ± 0.0004 Å |
| α | 90° |
| β | 101.148 ± 0.001° |
| γ | 90° |
| Cell volume | 2693.25 ± 0.12 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1056 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178557 (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 4/06/65. |
4066516.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066516.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066516.cif |
| 33916 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066514, 4066515, 4066516, 4066517, 4066518, 4066519, 4066520, 4066521, 4066522, 4066523, 4066524 via cif-deposit CGI script. |
4066516.cif |
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