Information card for entry 4065497

Structure parameters

• Formula: C87 H86 Cl10 Hg2 I6 N2 P6 Pd Pt2
• Calculated formula: C87 H84 Cl10 Hg2 I6 N2 P6 Pd Pt2
• SMILES: [Hg]1([Pd]2([P](C[P]3([Pt]41([Pt]([P](C3)(c1ccccc1)c1ccccc1)([P](C[P]4(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]c1c(cccc1C)C)I)c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]c1c(cccc1C)C)I.[Hg](I)(I)([I-])[I-].ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: Intramolecular Metal‒Metal Bond Rearrangement in a Pt2PdHg Heterometallic Cluster Forming a HgI‒PdICovalent Bond
• Authors of publication: Hosokawa, Aya; Kure, Bunsho; Nakajima, Takayuki; Nakamae, Kanako; Tanase, Tomoaki
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 22
• Pages of publication: 6063
• a: 15.374 ± 0.004 Å
• b: 17.862 ± 0.004 Å
• c: 21.368 ± 0.006 Å
• α: 76.635 ± 0.011°
• β: 89.427 ± 0.011°
• γ: 65.709 ± 0.006°
• Cell volume: 5180 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No