Information card for entry 4321196

Structure parameters

• Formula: C72 H68 Cl6 O6 P4 Rh2
• Calculated formula: C70 H64 Cl2 O6 P4 Rh2
• SMILES: C1Oc2ccc(cc2)OCC[P](c2ccccc2)(c2ccccc2)[Rh]([P](CCOc2ccc(cc2)OCC[P](c2ccccc2)(c2ccccc2)[Rh](C#[O])([P](c2ccccc2)(C1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1)(C#[O])Cl
• Title of publication: Neutral Macrocycles via Halide-Induced Ring Opening of Binuclear Condensed Intermediates
• Authors of publication: Felicia M. Dixon; Adam H. Eisenberg; Joshua R. Farrell; Chad A. Mirkin; Louise M. Liable-Sands; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3432 - 3433
• a: 21.1237 ± 0.0003 Å
• b: 9.6962 ± 0.0002 Å
• c: 35.2862 ± 0.0004 Å
• α: 90°
• β: 98.513 ± 0.0004°
• γ: 90°
• Cell volume: 7147.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.499
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No