Information card for entry 7107723

Structure parameters

• Formula: C80 H82 N24 O17 Pd4
• Calculated formula: C80 H82 N24 O17 Pd4
• Title of publication: Programmable Self-Assembly of Homo- or Hetero- Metallomacrocycles using 4-(1H-pyrazolyl-4-yl)pyridine
• Authors of publication: Jin Tong; Shu-Yan Yu; Hui Li
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5343
• a: 13.397 ± 0.003 Å
• b: 16.61 ± 0.003 Å
• c: 22.239 ± 0.004 Å
• α: 86.15 ± 0.03°
• β: 89.18 ± 0.02°
• γ: 89.19 ± 0.03°
• Cell volume: 4936.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No