Information card for entry 7047547

Structure parameters

• Common name: [PdTPAP(CH3CN)][BF4]2
• Chemical name: [PdTPAP(CH3CN)][BF4]2
• Formula: C28 H36 B2 F8 N9 P Pd
• Calculated formula: C28 H36 B2 F8 N9 P Pd
• Title of publication: Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).
• Authors of publication: Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 14101 - 14110
• a: 10.9669 ± 0.0006 Å
• b: 12.417 ± 0.0007 Å
• c: 25.3468 ± 0.0014 Å
• α: 77.9589 ± 0.0006°
• β: 87.3208 ± 0.0007°
• γ: 81.2206 ± 0.0007°
• Cell volume: 3335.7 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No