Information card for entry 4115674

Structure parameters

• Common name: Li tetraaquo [B-hexamethyl 9-mercuracarborand-3]2 iodide
• Formula: C14 H49 B30 Hg3 I0.5 Li0.5 N O2
• Calculated formula: C14 H49 B30 Hg3 I0.5 Li0.5 N O2
• Title of publication: Octahedral Coordination of Halide Ions (I-, Br-, Cl-) Sandwich Bonded with Tridentate Mercuracarborand-3 Receptors
• Authors of publication: Hans Lee; Carolyn B. Knobler; M. Frederick Hawthorne
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 8543 - 8549
• a: 13.312 ± 0.008 Å
• b: 13.982 ± 0.009 Å
• c: 13.995 ± 0.009 Å
• α: 61.16 ± 0.02°
• β: 82.34 ± 0.02°
• γ: 86.58 ± 0.02°
• Cell volume: 2261 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections: 0.1709
• Weighted residual factors for significantly intense reflections: 0.1286
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No