Information card for entry 4308365

Structure parameters

• Formula: C53 H77 Cl15 N4 O12 P4 Pd4
• Calculated formula: C53 H77 Cl15 N4 O12 P4 Pd4
• SMILES: [Pd]12([P](CC)(CC)CC)Oc3[n]([Pd]4([P](CC)(CC)CC)Oc5[n]([Pd]6([P](CC)(CC)CC)Oc7[n]([Pd]8([P](CC)(CC)CC)Oc9[n]2cccc9C(=O)O8)cccc7C(=O)O6)cccc5C(=O)O4)cccc3C(=O)O1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(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: 18.0936 ± 0.0012 Å
• b: 21.312 ± 0.0012 Å
• c: 20.8727 ± 0.0019 Å
• α: 90°
• β: 96.519 ± 0.006°
• γ: 90°
• Cell volume: 7996.7 ± 1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1537
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2833
• Weighted residual factors for all reflections included in the refinement: 0.3232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No