Information card for entry 7102674

Structure parameters

• Formula: C128 H136 B6 F18 N18 O20 Rh6 S6
• Calculated formula: C114 H120 B6 N18 Rh6
• Title of publication: Synthesis and characterization of the hexagonal prismatic cage [THF[subset or is implied by][PhB(CN)(3)](6)[Cp*Rh](6)](6+).
• Authors of publication: Kuhlman, Matthew L; Yao, Haijun; Rauchfuss, Thomas B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1370 - 1371
• a: 18.325 ± 0.006 Å
• b: 18.325 ± 0.006 Å
• c: 13.871 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4034 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No