Information card for entry 4113140

Structure parameters

• Formula: C68 H64 Cl2 O4 P4 Rh2 S2
• Calculated formula: C68 H64 Cl2 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: 32.486 ± 0.006 Å
• b: 32.486 ± 0.006 Å
• c: 12.05 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12717 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2825
• Residual factor for significantly intense reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.2799
• Weighted residual factors for all reflections included in the refinement: 0.3427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No