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Information card for entry 4107879
Preview
| Coordinates | 4107879.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H54 Cl4 Fe2 |
|---|---|
| Calculated formula | C56 H54 Cl4 Fe2 |
| SMILES | [Fe]12345678([cH]9[cH]2[c]3(C#Cc2c3cc(C(C)(C)C)cc%10[C@@]3([C@@]3(c(cc(cc3c3c%10cccc3)C(C)(C)C)c2C#C[c]23[cH]%10[Fe]%11%12%13%14%15%162([cH]([cH]%10%12)[cH]3%11)[cH]2[cH]%13[cH]%16[cH]%15[cH]%142)C)C)[cH]1[cH]49)[cH]1[cH]5[cH]7[cH]8[cH]61.ClCCl.ClCCl.[Fe]12345678([cH]9[cH]2[c]3(C#Cc2c3cc(C(C)(C)C)cc%10[C@]3([C@]3(c(cc(cc3c3c%10cccc3)C(C)(C)C)c2C#C[c]23[cH]%10[Fe]%11%12%13%14%15%162([cH]([cH]%10%12)[cH]3%11)[cH]2[cH]%13[cH]%16[cH]%15[cH]%142)C)C)[cH]1[cH]49)[cH]1[cH]5[cH]7[cH]8[cH]61.ClCCl.ClCCl |
| Title of publication | Redox-Assisted Ring Closing Reaction of the Photogenerated Cyclophanediene Form of Bis(ferrocenyl)dimethyldihydropyrene with Interferrocene Electronic Communication Switching |
| Authors of publication | Satoshi Muratsugu; Shoko Kume; Hiroshi Nishihara |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 7204 - 7205 |
| a | 16.694 ± 0.006 Å |
| b | 25.514 ± 0.009 Å |
| c | 11.092 ± 0.004 Å |
| α | 90 ± 0.002° |
| β | 94.772 ± 0.002° |
| γ | 90 ± 0.002° |
| Cell volume | 4708 ± 3 Å3 |
| Cell temperature | 113 ± 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 significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.2489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178824 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/78. |
4107879.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107879.cif |
| 56204 | 2012-05-09 | cif/ Adding structures of 4107879 via cif-deposit CGI script. |
4107879.cif |
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Users of the data should acknowledge the original authors of the
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