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Information card for entry 1513765
Preview
| Coordinates | 1513765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H30 Fe2 Ru Si2 |
|---|---|
| Calculated formula | C32 H30 Fe2 Ru Si2 |
| SMILES | [Ru]12345678([c]9([Si]%10([c]%11%12[Fe]%13%14%15%16%17%18%19([c]%20%10[cH]%16[cH]%13[cH]%14[cH]%15%20)[cH]%11[cH]%17[cH]%18[cH]%19%12)C)[cH]1[cH]2[cH]3[cH]49)[c]1([Si]2([c]34[Fe]9%10%11%12%13%14%15([c]%162[cH]%12[cH]9[cH]%10[cH]%11%16)[cH]3[cH]%13[cH]%14[cH]4%15)C)[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation |
| Authors of publication | Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 4 |
| Pages of publication | 1264 |
| a | 14.3465 ± 0.0004 Å |
| b | 14.4684 ± 0.0004 Å |
| c | 14.5968 ± 0.0004 Å |
| α | 66.44 ± 0.001° |
| β | 68.64 ± 0.002° |
| γ | 86.12 ± 0.002° |
| Cell volume | 2575.74 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0287 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0496 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513765.cif |
| 105771 | 2014-03-12 | cif/ Adding structures of 1513765, 1513766, 1513767 via cif-deposit CGI script. |
1513765.cif |
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Users of the data should acknowledge the original authors of the
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