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Information card for entry 4067804
Preview
| Coordinates | 4067804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H59 Cl12 O P4 Pd Rh |
|---|---|
| Calculated formula | C53 H59 Cl12 O P4 Pd Rh |
| SMILES | [Pd]1(Cl)(Cl)[P](C[P]([Rh]2345(Cl)(Cl)[c]6([c]2([c]3([c]4([c]56C)C)C)C)C)(C[P]1(CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.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 | 12.063 ± 0.005 Å |
| b | 24.465 ± 0.009 Å |
| c | 20.922 ± 0.008 Å |
| α | 90° |
| β | 92.1987 ± 0.0011° |
| γ | 90° |
| Cell volume | 6170 ± 4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.2045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| 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. |
4067804.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067804.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. |
4067804.cif |
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