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Information card for entry 4105243
Preview
| Coordinates | 4105243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ML097_3 |
|---|---|
| Chemical name | ML097_3 |
| Formula | C134 H209 F24 N12 O4.5 P4 Pd6 Tl4 |
| Calculated formula | C134 H209 F24 N12 O4.5 P4 Pd6 Tl4 |
| Title of publication | Oxidatively Induced Reductive Elimination from (tBu2bpy)Pd(Me)2: Palladium(IV) Intermediates in a One-Electron Oxidation Reaction |
| Authors of publication | Michael P. Lanci; Matthew S. Remy; Werner Kaminsky; James M. Mayer; Melanie S. Sanford |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 15618 - 15620 |
| a | 15.508 ± 0.0004 Å |
| b | 16.1827 ± 0.0005 Å |
| c | 16.3415 ± 0.0006 Å |
| α | 90.5519 ± 0.0011° |
| β | 99.3054 ± 0.0011° |
| γ | 103.893 ± 0.0016° |
| Cell volume | 3923.7 ± 0.2 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1167 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4105243.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4105243.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105243.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105243.cif |
| 30437 | 2011-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4105243 via cif-deposit CGI script. |
4105243.cif |
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Users of the data should acknowledge the original authors of the
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