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Information card for entry 4110134
Preview
| Coordinates | 4110134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C246 H253 Cl38 Cu26 Fe13 N10 O2 P65 |
|---|---|
| Calculated formula | C246 H226 Cl38 Cu26 Fe13 N10 O2 P65 |
| Title of publication | Fullerene C60 as an Endohedral Molecule within an Inorganic Supramolecule |
| Authors of publication | Manfred Scheer; Andrea Schindler; Roger Merkle; Brian P. Johnson; Michael Linseis; Rainer Winter; Christopher E. Anson; Alexander V. Virovets |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 13386 - 13387 |
| a | 49.557 ± 0.002 Å |
| b | 28.581 ± 0.0011 Å |
| c | 27.063 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 38332 ± 3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.2575 |
| Residual factor for significantly intense reflections | 0.1115 |
| Weighted residual factors for significantly intense reflections | 0.3187 |
| Weighted residual factors for all reflections included in the refinement | 0.3917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178872 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01. |
4110134.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110134.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110134.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110134.cif |
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Users of the data should acknowledge the original authors of the
structural data.