Information card for entry 4340545

Structure parameters

• Formula: C50 H58 Cl6 P4 Pd2
• Calculated formula: C50 H58 Cl6 P4 Pd2
• SMILES: C(Cl)Cl.Cl[Pd]12[P](c3ccc4c5c(ccc([P]2(C(C)C)C(C)C)c35)CC4)(c2ccccc2)[Pd]2([P]1(c1ccc3c4c(ccc([P]2(C(C)C)C(C)C)c14)CC3)c1ccccc1)Cl.C(Cl)Cl
• Title of publication: Synthetic and Structural Study of the Coordination Chemistry of a peri-Backbone-Supported Phosphino-Phosphonium Salt.
• Authors of publication: Ray, Matthew J.; Bühl, Michael; Taylor, Laurence J.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Kilian, Petr
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8538 - 8547
• a: 8.6966 ± 0.0007 Å
• b: 12.2811 ± 0.0011 Å
• c: 12.971 ± 0.0011 Å
• α: 90.806 ± 0.007°
• β: 103.38 ± 0.008°
• γ: 109.196 ± 0.008°
• Cell volume: 1266.7 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No