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Information card for entry 4340648
Preview
| Coordinates | 4340648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H21 B Fe N6 |
|---|---|
| Calculated formula | C34 H21 B Fe N6 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[B]12[n]3c4=Nc9n2c(N=c2n1c(=Nc3c1c4cccc1)c1ccccc21)c1ccccc91)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Redox and photoinduced electron-transfer properties in short distance organoboryl ferrocene-subphthalocyanine dyads. |
| Authors of publication | Maligaspe, Eranda; Hauwiller, Matthew R.; Zatsikha, Yuriy V.; Hinke, Jonathan A.; Solntsev, Pavlo V.; Blank, David A.; Nemykin, Victor N. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 17 |
| Pages of publication | 9336 - 9347 |
| a | 10.041 ± 0.0004 Å |
| b | 11.8991 ± 0.0005 Å |
| c | 12.3514 ± 0.0008 Å |
| α | 102.901 ± 0.007° |
| β | 105.917 ± 0.008° |
| γ | 107.811 ± 0.008° |
| Cell volume | 1272.83 ± 0.17 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179509 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06. |
4340648.cif |
| 122930 | 2014-09-06 | cif/ Updating files of 4340648, 4340649 Original log message: Adding full bibliography for 4340648--4340649.cif. |
4340648.cif |
| 121991 | 2014-08-18 | cif/ Adding structures of 4340648, 4340649 via cif-deposit CGI script. |
4340648.cif |
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Users of the data should acknowledge the original authors of the
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