Information card for entry 4308367

Structure parameters

• Formula: C114 H174 Cl22 N10 O20 P10 Pd10
• Calculated formula: C114 H174 Cl22 N10 O20 P10 Pd10
• SMILES: c12c3cc(c[n]1[Pd]1(Oc4c([n](cc(c4)Cl)[Pd]4(Oc5[n](cc(cc5O4)Cl)[Pd]4(Oc5c([n](cc(c5)Cl)[Pd]5(Oc6c(cc(c[n]6[Pd]6(Oc7c([n](cc(c7)Cl)[Pd]7(Oc8c([n](cc(c8)Cl)[Pd]8(Oc9[n](cc(cc9O8)Cl)[Pd]8(Oc9c([n](cc(c9)Cl)[Pd]9(Oc%10c(cc(c[n]%10[Pd](O3)(O2)[P](CC)(CC)CC)Cl)O9)[P](CC)(CC)CC)O8)[P](CC)(CC)CC)[P](CC)(CC)CC)O7)[P](CC)(CC)CC)O6)[P](CC)(CC)CC)Cl)O5)[P](CC)(CC)CC)O4)[P](CC)(CC)CC)[P](CC)(CC)CC)O1)[P](CC)(CC)CC)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Neutral Metallomacrocycles with Four or Ten (PEt3)Pd(II) Centers
• Authors of publication: Brasey, Thomas; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 160 - 162
• a: 14.7501 ± 0.0015 Å
• b: 16.9319 ± 0.0017 Å
• c: 17.478 ± 0.002 Å
• α: 74.495 ± 0.01°
• β: 72.735 ± 0.01°
• γ: 84.043 ± 0.008°
• Cell volume: 4015.3 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1768
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No