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Information card for entry 4067810
Preview
| Coordinates | 4067810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H72 Cl5 F6 O P5 Pd Rh2 |
|---|---|
| Calculated formula | C62 H72 Cl5 F6 O P5 Pd Rh2 |
| SMILES | [Pd]12(Cl)[Cl][Rh]3456(Cl)([P](C[P]2(C[P]([Rh]2789(Cl)(Cl)[c]%10([c]2([c]7([c]8([c]9%10C)C)C)C)C)(C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| Title of publication | Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center |
| Authors of publication | Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 1 |
| Pages of publication | 133 |
| a | 10.848 ± 0.002 Å |
| b | 33.528 ± 0.006 Å |
| c | 19.391 ± 0.004 Å |
| α | 90° |
| β | 94.726 ± 0.003° |
| γ | 90° |
| Cell volume | 7029 ± 2 Å3 |
| Cell temperature | 153 ± 3 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.1717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
4067810.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067810.cif |
| 37989 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4067801, 4067802, 4067803, 4067804, 4067805, 4067806, 4067807, 4067808, 4067809, 4067810, 4067811 via cif-deposit CGI script. |
4067810.cif |
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Users of the data should acknowledge the original authors of the
structural data.