Information card for entry 4067804

Structure parameters

• 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 ų
• 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