Information card for entry 4065445

Structure parameters

• Common name: PNNPdCl C4 dimer
• Formula: C64 H80 Cl2 N4 P2 Pd2
• Calculated formula: C64 H80 Cl2 N4 P2 Pd2
• SMILES: c12c(cc(cc1)C)[P](C(C)C)(C(C)C)[Pd]1([N](=Cc3c(N21)ccc(c3)C)CCCC[N]1[Pd]2(N(c3c(C=1)cc(cc3)C)c1c(cc(cc1)C)[P]2(C(C)C)C(C)C)Cl)Cl.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Binuclear Palladium Complexes Supported by Bridged Pincer Ligands
• Authors of publication: Herbert, David E.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6641
• a: 7.757 ± 0.003 Å
• b: 13.319 ± 0.005 Å
• c: 14.878 ± 0.005 Å
• α: 97.967 ± 0.004°
• β: 96.749 ± 0.004°
• γ: 98.808 ± 0.004°
• Cell volume: 1489.1 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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 all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No