Information card for entry 4115675

Structure parameters

• Common name: triphenylmethylphosphonium [(B-hexamethyl 9-mercuracarborand-3)2.Br]
• Formula: C24.5 H56.5 B30 Br0.5 Hg3 O1.5 P0.5
• Calculated formula: C24.5 H55.5 B30 Br0.5 Hg3 O1.5 P0.5
• 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: 24.671 ± 0.008 Å
• b: 17.576 ± 0.006 Å
• c: 26.079 ± 0.008 Å
• α: 90°
• β: 106.424 ± 0.006°
• γ: 90°
• Cell volume: 10847 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No