Information card for entry 4081286

Structure parameters

• Formula: C44 H60 B2 F8 N8 P4 Pd
• Calculated formula: C44 H60 B2 F8 N8 P4 Pd
• SMILES: [B](F)(F)(F)[F-].c1(ccccc1)N1C[P]2([Pd]3([P](C1)(C)CN(c1ccccc1)C2)[P]1(CN(c2ccccc2)C[P]3(CN(C1)c1ccccc1)C)C)C.N#CC.N#CC.[B](F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Synthesis, Structural, and Electrocatalytic Reduction Studies of [Pd(P2N2)2]2+Complexes
• Authors of publication: Seu, Candace S.; Ung, David; Doud, Michael D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4556
• a: 14.0539 ± 0.0007 Å
• b: 10.008 ± 0.0005 Å
• c: 18.7335 ± 0.001 Å
• α: 90°
• β: 108.98 ± 0.002°
• γ: 90°
• Cell volume: 2491.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No