Information card for entry 4081285

Structure parameters

• Formula: C64 H70 B2 F8 N6 P4 Pd
• Calculated formula: C64 H70 B2 F8 N6 P4 Pd
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1(ccccc1)[P]12CN(Cc3ccccc3)C[P](c3ccccc3)(CN(Cc3ccccc3)C1)[Pd]12[P]2(c3ccccc3)CN(Cc3ccccc3)C[P]1(c1ccccc1)CN(Cc1ccccc1)C2.C(#N)C.C(#N)C
• 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: 10.5769 ± 0.0005 Å
• b: 24.516 ± 0.0008 Å
• c: 24.1638 ± 0.0009 Å
• α: 90°
• β: 99.188 ± 0.002°
• γ: 90°
• Cell volume: 6185.4 ± 0.4 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: 0.0665
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No