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Information card for entry 4101270
Preview
| Coordinates | 4101270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C142.75 H171 Mn3.85 N45.75 O101.25 Pd6 |
|---|---|
| Calculated formula | C142.854 H171.065 Mn3.857 N45.818 O100.888 Pd6 |
| Title of publication | Direct crystallographic observation of a coordinatively unsaturated transition-metal complex in situ generated within a self-assembled cage. |
| Authors of publication | Kawano, Masaki; Kobayashi, Yasuhiro; Ozeki, Tomoji; Fujita, Makoto |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Journal issue | 20 |
| Pages of publication | 6558 - 6559 |
| a | 24.3311 ± 0.0003 Å |
| b | 46.3186 ± 0.0006 Å |
| c | 46.72 ± 0.0007 Å |
| α | 90° |
| β | 99.6656 ± 0.0008° |
| γ | 90° |
| Cell volume | 51905 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1738 |
| Residual factor for significantly intense reflections | 0.1233 |
| Weighted residual factors for significantly intense reflections | 0.3497 |
| Weighted residual factors for all reflections included in the refinement | 0.3846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.335 |
| Diffraction radiation wavelength | 0.689 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178758 (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 4/10/12. |
4101270.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101270.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101270.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4101270.cif |
| 396 | 2008-06-20 | Adding new CIF files from J-Am-Chem-Soc-2006/. |
4101270.cif |
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