Information card for entry 7109234

Structure parameters

• Formula: C12 H16 F12 N4 P2 Pd2
• Calculated formula: C12 H16 F12 N4 P2 Pd2
• SMILES: [cH]12[cH]3[cH]4[cH]([nH]1)[Pd]154([Pd]423([N]#CC)[cH]2[cH]5[cH]1[nH][cH]42)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bridging pi-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: 8.0162 ± 0.0018 Å
• b: 8.1741 ± 0.0019 Å
• c: 15.789 ± 0.004 Å
• α: 90°
• β: 90.039 ± 0.004°
• γ: 90°
• Cell volume: 1034.6 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No