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Information card for entry 4067112
Preview
| Coordinates | 4067112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H70 B2 F8 N2 O15 P2 Rh2 |
|---|---|
| Calculated formula | C61 H70 B2 F8 N2 O15 P2 Rh2 |
| SMILES | [Rh]123([P](Cc4[n]1[n]1[Rh]([P](Cc1c1c4cccc1)(c1ccccc1)c1ccccc1)([OH2])(C#[O])(C(=C2C(=O)OCC)C(=O)OCC)C(=C3C(=O)OCC)C(=O)OCC)(c1ccccc1)c1ccccc1)([OH2])C#[O].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C.O=C(C)C.O=C(C)C |
| Title of publication | Dirhodium Complexes Bridged by Bis(diphenylphosphino)phthalazine (PNNPPh): Central Ring Size and Charge Effects As Compared with the Pyrazolate Derivative (PNNPPy) |
| Authors of publication | Yamaguchi, Takafumi; Koike, Takashi; Akita, Munetaka |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 23 |
| Pages of publication | 6493 |
| a | 13.173 ± 0.008 Å |
| b | 13.495 ± 0.006 Å |
| c | 21.22 ± 0.01 Å |
| α | 72.77 ± 0.02° |
| β | 74.34 ± 0.02° |
| γ | 72.62 ± 0.02° |
| Cell volume | 3370 ± 3 Å3 |
| Cell temperature | 213.2 K |
| Ambient diffraction temperature | 213 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 significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.1871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4067112.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067112.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067112.cif |
| 34085 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067103, 4067104, 4067105, 4067106, 4067107, 4067108, 4067109, 4067110, 4067111, 4067112 via cif-deposit CGI script. |
4067112.cif |
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Users of the data should acknowledge the original authors of the
structural data.