Information card for entry 7112787

Structure parameters

• Formula: C33 H30 Cl3 F6 N6 P Pd Pt
• Calculated formula: C33 H30 Cl3 F6 N6 P Pd Pt
• SMILES: [Pd]12(Cl)[n]3c(ccc4c3c(N1c1cccc3c1[n]2ccc3)ccc4)C[N]([Pt]12C)(Cc3[n]2cccc3)Cc2[n]1cccc2.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Ligand design for site-selective installation of Pd and Pt centers to generate homo- and heteropolymetallic motifs.
• Authors of publication: Suess, Daniel L. M.; Peters, Jonas C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6554 - 6556
• a: 7.3949 ± 0.0004 Å
• b: 15.6616 ± 0.0008 Å
• c: 15.887 ± 0.0009 Å
• α: 70.729 ± 0.002°
• β: 81.541 ± 0.002°
• γ: 86.647 ± 0.002°
• Cell volume: 1717.88 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0234
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No