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Information card for entry 4067808
Preview
| Coordinates | 4067808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H70 Cl10 Ir2 P4 Pd |
|---|---|
| Calculated formula | C61 H70 Cl10 Ir2 P4 Pd |
| SMILES | [Ir]1234(Cl)(Cl)([P]5(C[P]([Pd](Cl)(Cl)[P](C5)(C[P]([Ir]5678(Cl)(Cl)[c]9([c]8([c]7([c]6([c]59C)C)C)C)C)(c5ccccc5)c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.ClCCl.ClCCl |
| 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 | 23.3745 ± 0.0005 Å |
| b | 15.303 ± 0.0004 Å |
| c | 18.1393 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6488.4 ± 0.3 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for all reflections included in the refinement | 0.0527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| 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. |
4067808.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067808.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. |
4067808.cif |
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