Information card for entry 4067801

Structure parameters

• Formula: C41 H40 Cl6 P4 Pd
• Calculated formula: C41 H40 Cl6 P4 Pd
• SMILES: [Pd]12(Cl)[P](CP(C[P]1(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].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: 11.1295 ± 0.0015 Å
• b: 29.706 ± 0.003 Å
• c: 13.217 ± 0.002 Å
• α: 90°
• β: 96.1866 ± 0.0018°
• γ: 90°
• Cell volume: 4344.3 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No