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Information card for entry 7013351
Preview
| Coordinates | 7013351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C!60$$.!Pt(OEP)$.!2(C!6$H!6$) |
|---|---|
| Formula | C108 H56 N4 Pt |
| Calculated formula | C108 H56 N4 Pt |
| SMILES | [Pt]123n4c5=Cc6[n]2c(=Cc2n1c(c(c2CC)CC)C=c1[n]3c(C=c4c(c5CC)CC)c(c1CC)CC)c(c6CC)CC.c12c3c4c5c6c7c8c9c%10c%11c%12c9c9c%13c%14c(c(c%15c1c1c%16c3c3c%17c%18c%19c%20c(c%21c%10c(c(c43)c%18%21)c58)c%11c3c%20c4c5c8c(c%16c%17c%195)c1c1c%15c%14c5c1c8c4c1c3c%12c%13c51)c26)c79.c1ccccc1.c1ccccc1 |
| Title of publication | Interactions of metalloporphyrins as donors with the electron acceptors C60, tetracyanoquinomethane (TCNQ) and trinitrofluorenylidenemalonitrile |
| Authors of publication | Marilyn M. Olmstead; Ana de Bettencourt-Dias; Hon Man Lee; David Pham; Alan L. Balch |
| Journal of publication | Dalton Trans. |
| Year of publication | 2003 |
| Journal issue | 16 |
| Pages of publication | 3227 - 3232 |
| a | 14.1778 ± 0.0019 Å |
| b | 14.443 ± 0.0014 Å |
| c | 17.1813 ± 0.0017 Å |
| α | 87.679 ± 0.007° |
| β | 75.728 ± 0.006° |
| γ | 75.512 ± 0.006° |
| Cell volume | 3300.4 ± 0.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0225 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0529 |
| Weighted residual factors for all reflections included in the refinement | 0.0537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7013351.cif |
| 179837 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/33. |
7013351.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013351.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013351.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013351.cif |
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