Information card for entry 4088898

Structure parameters

• Formula: C86 H112 N6 Pd2
• Calculated formula: C86 H112 N6 Pd2
• SMILES: C12=C(N([Pd]3([N]2=C(C(=[N]3c2c(cc(cc2C)C)C)C)[C@@H]2C([C@H]1[C@@H]1C([C@H]2C2=C(C)N(c3c(cc(cc3C)C)C)[Pd]3([N]2=C1C(=[N]3c1c(cc(cc1C)C)C)C)CC(c1ccccc1)(C)C)CC=C)CC=C)CC(C)(C)c1ccccc1)c1c(cc(cc1C)C)C)C.CCCCCC
• Title of publication: Oxygen-Induced Dimerization of Alkyl-Manganese(II) 2,6-Bisiminopyridine Complexes: Selective Synthesis of a New Ditopic NNN-Pincer Ligand
• Authors of publication: Sandoval, John J.; Melero, Cristóbal; Palma, Pilar; Álvarez, Eleuterio; Rodríguez-Delgado, Antonio; Cámpora, Juan
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 19
• Pages of publication: 3336
• a: 16.327 ± 0.002 Å
• b: 14.644 ± 0.002 Å
• c: 16.555 ± 0.003 Å
• α: 90°
• β: 103.387 ± 0.005°
• γ: 90°
• Cell volume: 3850.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No