Information card for entry 4323877

Structure parameters

• Common name: [Pd(dino[14]mac](ClO~4~)~2~
• Chemical name: (6,13-Dimethyl-6,13-dinitro-1,4,8,11-tetraazacyclotetradecane)palladium(II) perchlorate
• Formula: C12 H26 Cl2 N6 O12 Pd
• Calculated formula: C12 H26 Cl2 N6 O12 Pd
• SMILES: [O-]Cl(=O)(=O)=O.[Pd]123[NH]4CC[NH]2CC(C[NH]1CC[NH]3CC(C4)(C)N(=O)=O)(C)N(=O)=O.[O-]Cl(=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: 8.105 ± 0.003 Å
• b: 8.37 ± 0.002 Å
• c: 9.437 ± 0.004 Å
• α: 69.04 ± 0.03°
• β: 68.6 ± 0.03°
• γ: 71.53 ± 0.03°
• Cell volume: 543.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.1379
• Weighted residual factors for significantly intense reflections: 0.1154
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No