Information card for entry 7109235

Structure parameters

• Formula: C16 H26 F12 N6 O4 P2 Pd2
• Calculated formula: C16 H26 F12 N6 O4 P2 Pd2
• SMILES: [cH]12[cH]3[cH]4[cH](n1C)[Pd]154([Pd]423([N]#CC)[cH]2[cH]5[cH]1n([cH]42)C)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N(=O)(=O)C.CN(=O)=O
• 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: 7.767 ± 0.0011 Å
• b: 10.1048 ± 0.0013 Å
• c: 10.6014 ± 0.0016 Å
• α: 111.9 ± 0.005°
• β: 109.527 ± 0.005°
• γ: 90.519 ± 0.004°
• Cell volume: 719.04 ± 0.18 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0301
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No