Information card for entry 4319006

Structure parameters

• Common name: 2
• Formula: C112.5 H78 B2 Cl1.5 F8 Hg2 N6 P6 Pd2
• Calculated formula: C112.5 H78 B2 Cl1.5 F8 Hg2 N6 P6 Pd2
• Title of publication: Pd(0) and Pt(0) Metallocryptands Encapsulating a Spinning Mercurous Dimer
• Authors of publication: Vincent J. Catalano; Mark A. Malwitz; Bruce C. Noll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6553 - 6559
• a: 17.5937 ± 0.0018 Å
• b: 29.218 ± 0.003 Å
• c: 19.122 ± 0.002 Å
• α: 90°
• β: 90.979 ± 0.009°
• γ: 90°
• Cell volume: 9828.3 ± 1.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No