Information card for entry 4319007

Structure parameters

• Common name: 1
• Formula: C119 H90 Cl2 F12 Hg2 N6 P8 Pt2
• Calculated formula: C119 H90 Cl2 F12 Hg2 N6 P8 Pt2
• 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: 16.995 ± 0.004 Å
• b: 27.707 ± 0.006 Å
• c: 23.561 ± 0.005 Å
• α: 90°
• β: 99.329 ± 0.004°
• γ: 90°
• Cell volume: 10948 ± 4 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 8
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No