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Information card for entry 4064471
Preview
| Coordinates | 4064471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H21 Cl2 Fe2 N O2 |
|---|---|
| Calculated formula | C25 H21 Cl2 Fe2 N O2 |
| SMILES | [Fe]12345678([cH]9[c]1([cH]2[cH]3[cH]49)C1=C(C(=O)NC1=O)[c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]8[cH]7[cH]6[cH]51.ClCCl |
| Title of publication | Electronic Communications in (Z)-Bis(ferrocenyl)ethylenes with Electron-Withdrawing Substituents |
| Authors of publication | Solntsev, Pavlo V.; Dudkin, Semen V.; Sabin, Jared R.; Nemykin, Victor N. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 11 |
| Pages of publication | 3037 |
| a | 10.253 ± 0.002 Å |
| b | 11.074 ± 0.002 Å |
| c | 11.12 ± 0.002 Å |
| α | 63.18 ± 0.03° |
| β | 80.01 ± 0.03° |
| γ | 87.34 ± 0.03° |
| Cell volume | 1109 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0493 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections | 0.1006 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0307 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4064471.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064471.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064471.cif |
| 32918 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064471 via cif-deposit CGI script. |
4064471.cif |
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