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Information card for entry 7151048
Preview
| Coordinates | 7151048.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H25 Cl3 Fe2 N2 |
|---|---|
| Calculated formula | C37 H25 Cl3 Fe2 N2 |
| SMILES | [Fe]12345678([c]9(C#Cc%10cnc%11c(c%10)ccc%10cc(cnc%11%10)C#C[c]%10%11[cH]%12[Fe]%13%14%15%16%17%18%10([cH]%12[cH]%13[cH]%11%14)[cH]%10[cH]%15[cH]%16[cH]%17[cH]%18%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81.ClC(Cl)Cl |
| Title of publication | Synthesis of supramolecular fullerene-porphyrin-Cu(phen)(2)-ferrocene architectures. A heteroleptic approach towards tetrads. |
| Authors of publication | Schmittel, Michael; Kishore, Ravuri S. K.; Bats, Jan W. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | 78 - 86 |
| a | 22.77 ± 0.003 Å |
| b | 7.5283 ± 0.0011 Å |
| c | 19.57 ± 0.003 Å |
| α | 90° |
| β | 111.923 ± 0.012° |
| γ | 90° |
| Cell volume | 3112.1 ± 0.8 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0947 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1221 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180296 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/10. |
7151048.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151048.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151048.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7151048.cif |
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