Information card for entry 7026642

Structure parameters

• Formula: C44 H38 B2 F8 N2 Pd2 Se4
• Calculated formula: C44 H38 B2 F8 N2 Pd2 Se4
• SMILES: [B](F)(F)(F)[F-].c1ccccc1[Se]1Cc2c3c(C[Se](c4ccccc4)[Pd]13[n]1ccccc1)c1C[Se](c3ccccc3)[Pd]3(c1c2C[Se]3c1ccccc1)[n]1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Tetradentate selenium ligand as a building block for homodinuclear complexes of Pd(II) and Ru(II) having seven membered rings or bis-pincer coordination mode: high catalytic activity of Pd-complexes for Heck reaction.
• Authors of publication: Das, Dipanwita; Singh, Pradhumn; Singh, Monika; Singh, Ajai Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10876 - 10882
• a: 22.765 ± 0.004 Å
• b: 10.926 ± 0.002 Å
• c: 18.967 ± 0.004 Å
• α: 90°
• β: 102.809 ± 0.003°
• γ: 90°
• Cell volume: 4600.3 ± 1.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No