Information card for entry 7109236

Structure parameters

• Formula: C20 H20 F12 N4 P2 Pd2
• Calculated formula: C20 H20 F12 N4 P2 Pd2
• SMILES: [cH]12c3[nH]ccc3[cH]3[cH]4[cH]2[Pd]251([N]#CC)[cH]1c6cc[nH]c6[cH]6[cH]([cH]21)[Pd]3456[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bridging ?-coordination of pyrrole and indole over a PdI–PdI bond
• Authors of publication: Tetsuro Murahashi; Seita Kimura; Kohei Takase; Sensuke Ogoshi; Koji Yamamoto
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4310
• a: 7.934 ± 0.002 Å
• b: 8.982 ± 0.003 Å
• c: 9.95 ± 0.003 Å
• α: 103.254 ± 0.002°
• β: 107.386 ± 0.003°
• γ: 101.872 ± 0.002°
• Cell volume: 629.3 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No