Information card for entry 7112785

Structure parameters

• Formula: C34 H32 F6 N7 P Pd
• Calculated formula: C34 H32 F6 N7 P Pd
• SMILES: [Pd]12([n]3c(C[N]1(Cc1nc4c(Nc5c6ncccc6ccc5)cccc4cc1)Cc1cccc[n]21)cccc3)C.[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 14.6795 ± 0.0013 Å
• b: 13.2225 ± 0.0011 Å
• c: 16.7504 ± 0.0014 Å
• α: 90°
• β: 91.096 ± 0.002°
• γ: 90°
• Cell volume: 3250.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No