Information card for entry 4065450

Structure parameters

• Formula: C112 H145 F9 N8 O6 P4 Pd4 S2
• Calculated formula: C112 H145 F9 N8 O6 P4 Pd4 S2
• SMILES: c12c(cc(cc1)C)[P](C(C)C)(C(C)C)[Pd]13[NH]2c2ccc(C)cc2C[NH]1CCCC[N]1=Cc2c(ccc(c2)C)N2[Pd]31[P](c1c2ccc(c1)C)(C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].c1(ccccc1)F.c1(ccccc1)F
• 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: 31.487 ± 0.014 Å
• b: 10.73 ± 0.005 Å
• c: 33.438 ± 0.015 Å
• α: 90°
• β: 102.072 ± 0.005°
• γ: 90°
• Cell volume: 11047 ± 9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No