Information card for entry 7114898

Structure parameters

• Common name: 1
• Formula: C112 H78 Au2 F12 Hg N8 P8
• Calculated formula: C112 H78 Au2 F12 Hg N8 P8
• Title of publication: A linearly coordinated Hg(0) trapped in a gold(i) metallocryptand cage
• Authors of publication: Catalano, Vincent J.; Malwitz, Mark A.; Noll, Bruce C.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 581
• a: 17.6778 ± 0.0005 Å
• b: 29.5895 ± 0.0009 Å
• c: 19.4103 ± 0.0006 Å
• α: 90°
• β: 91.686 ± 0.001°
• γ: 90°
• Cell volume: 10148.7 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• 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: 0.0819
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No