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Information card for entry 4068421
Preview
| Coordinates | 4068421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Hf O2 P2 Pd |
|---|---|
| Calculated formula | C36 H36 Hf O2 P2 Pd |
| SMILES | [Pd]1([P](O[Hf]23456789(O[P]1(c1ccccc1)c1ccccc1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61)(c1ccccc1)c1ccccc1)(C)C |
| Title of publication | Bi- and Trinuclear Complexes of Group 4 Metal and Palladium Bridged by OPPh2Groups: Synthesis and High Catalytic Activities in Double Hydrophosphinylation of 1-Octyne |
| Authors of publication | Mizuta, Tsutomu; Miyaji, Chihiro; Katayama, Takafumi; Ushio, Jun-ichi; Kubo, Kazuyuki; Miyoshi, Katsuhiko |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 539 |
| a | 19.899 ± 0.0001 Å |
| b | 10.263 ± 0.0001 Å |
| c | 32.422 ± 0.0001 Å |
| α | 90° |
| β | 93.088 ± 0.001° |
| γ | 90° |
| Cell volume | 6611.72 ± 0.08 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178574 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84. |
4068421.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068421.cif |
| 39755 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068419, 4068420, 4068421, 4068422 via cif-deposit CGI script. |
4068421.cif |
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Users of the data should acknowledge the original authors of the
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