Information card for entry 4113138

Structure parameters

• Formula: C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2
• Calculated formula: C74 H68 B2 Cl8 F8 O4 P4 Rh2 S2
• Title of publication: Halide-Induced Supramolecular Ligand Rearrangement
• Authors of publication: Aaron M. Brown; Maxim V. Ovchinnikov; Charlotte L. Stern; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14316 - 14317
• a: 11.536 ± 0.002 Å
• b: 14.0279 ± 0.0017 Å
• c: 14.279 ± 0.003 Å
• α: 94.746 ± 0.018°
• β: 111.785 ± 0.015°
• γ: 108.13 ± 0.012°
• Cell volume: 1987.1 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No