Information card for entry 7006063

Structure parameters

• Formula: C50 H45 F3 N2 O2 P2 Pt2
• Calculated formula: C50 H45 F3 N2 O2 P2 Pt2
• SMILES: [Pd]12([Pt]([P](c3[n]2cccc3)(c2ccccc2)c2ccccc2)([n]2ccccc2[P]1(c1ccccc1)c1ccccc1)(C)(C)OC(=O)C(F)(F)F)c1ccccc1.c1ccccc1
• Title of publication: Aryl, methyl-diplatinum complexes each with a metal-metal donor-acceptor bond and bridging 2-diphenylphosphinopyridine (PN) ligands: general synthetic approach and mechanism of isomerization.
• Authors of publication: Shafaatian, Bita; Akbari, Alireza; Nabavizadeh, S. Masoud; Heinemann, Frank W.; Rashidi, Mehdi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 41
• Pages of publication: 4715 - 4725
• a: 17.636 ± 0.002 Å
• b: 11.141 ± 0.001 Å
• c: 22.748 ± 0.002 Å
• α: 90°
• β: 99.187 ± 0.006°
• γ: 90°
• Cell volume: 4412.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No