Information card for entry 4323878

Structure parameters

• Common name: [Pd(dino[16]mac)](ClO~4~)~2~
• Chemical name: (3,11-Dimethyl-3,11-dinitro-1,5,9,13-tetraazacyclohexadecane)palladium(II) perchlorate
• Formula: C14 H30 Cl2 N6 O14 Pd
• Calculated formula: C14 H30 Cl2 N6 O14 Pd
• SMILES: [Pd]123[NH]4CC(C[NH]1CCC[NH]2CC(C[NH]3CCC4)(C)N(=O)=O)(C)N(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: "Swollen" Macrocycles: Palladium(II)-Directed Template Syntheses of Pendant-Arm 14-, 16-, and 18-Membered Macrocycles
• Authors of publication: Monica Rossignoli; Christine C. Allen; Trevor W. Hambley; Geoffrey A. Lawrance; Marcel Maeder
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4961 - 4966
• a: 8.391 ± 0.002 Å
• b: 12.816 ± 0.003 Å
• c: 23.925 ± 0.009 Å
• α: 90°
• β: 93.18 ± 0.02°
• γ: 90°
• Cell volume: 2568.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.228
• Weighted residual factors for significantly intense reflections: 0.2232
• Goodness-of-fit parameter for all reflections: 1.781
• Goodness-of-fit parameter for significantly intense reflections: 1.904
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No