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Information card for entry 7005020
Preview
| Coordinates | 7005020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C182 H182 Fe4 O P8 |
|---|---|
| Calculated formula | C182 H172 Fe4 O P8 |
| SMILES | C(=C(c1ccc(C#C[Fe]23456([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[c]2([c]3([c]4([c]5([c]62C)C)C)C)C)cc1)c1ccc(C#C[Fe]23456([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[c]2([c]6([c]5([c]4([c]32C)C)C)C)C)cc1)(c1ccc(C#C[Fe]23456([c]7([c]2([c]3(C)[c]6([c]57C)C)C)C)[P](c2ccccc2)(CC[P]4(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(C#C[Fe]23456([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[c]2([c]6([c]5([c]4([c]32C)C)C)C)C)cc1.O(CC)CC |
| Title of publication | Redox-active polyiron complexes with tetra(ethynylphenyl)ethene and [2,2]paracyclophane spacers containing ethynylphenyl units: extension to higher dimensional molecular wire. |
| Authors of publication | Tanaka, Yuya; Ozawa, Takehiro; Inagaki, Akiko; Akita, Munetaka |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 9 |
| Pages of publication | 928 - 933 |
| a | 37.69 ± 0.02 Å |
| b | 24.5 ± 0.01 Å |
| c | 22.63 ± 0.01 Å |
| α | 90° |
| β | 119.77 ± 0.02° |
| γ | 90° |
| Cell volume | 18139 ± 15 Å3 |
| Cell temperature | 213.2 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.3326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7005020.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005020.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005020.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005020.cif |
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