Information card for entry 4081284

Structure parameters

• Formula: C64 H92 B2 F8 N8 P4 Pd
• Calculated formula: C56 H80 B2 F8 N4 P4 Pd
• SMILES: C1N(c2ccccc2)C[P]2([Pd]3([P]1(C1CCCCC1)CN(c1ccccc1)C2)[P]1(C2CCCCC2)CN(C[P]3(C2CCCCC2)CN(c2ccccc2)C1)c1ccccc1)C1CCCCC1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 9.5588 ± 0.0007 Å
• b: 12.496 ± 0.0009 Å
• c: 14.8568 ± 0.0011 Å
• α: 94.027 ± 0.003°
• β: 99.551 ± 0.002°
• γ: 97.422 ± 0.002°
• Cell volume: 1727.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No