Information card for entry 7030688

Structure parameters

• Common name: (Pd(9S3)(dpae))(PF6)2
• Formula: C35 H42 As2 F12 O P2 Pd S3
• Calculated formula: C35 H42 As2 F12 O P2 Pd S3
• SMILES: [Pd]123([S]4CC[S]1CC[S]2CC4)[As](CC[As]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Thiacrown PtII complexes with group 15 donor ligands: pentacoordination in Pt(II) complexes
• Authors of publication: Grant, Gregory J.; Benefield, Desirée A.; VanDerveer, Donald G.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8605 - 8615
• a: 11.087 ± 0.002 Å
• b: 14.193 ± 0.003 Å
• c: 16.251 ± 0.003 Å
• α: 108.76 ± 0.03°
• β: 99.61 ± 0.03°
• γ: 110.85 ± 0.03°
• Cell volume: 2145.3 ± 1.2 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002474
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No