Information card for entry 7107787

Structure parameters

• Formula: C44 H44 Cl2 O10 P4 Pt
• Calculated formula: C44 H44 Cl2 O10 P4 Pt
• Title of publication: Facile self-assembly of the first diphosphametacyclophane
• Authors of publication: Amy J. Saunders; Ian R. Crossley; Martyn P. Coles; S. Mark Roe
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5766
• a: 10.4564 ± 0.0004 Å
• b: 11.3437 ± 0.0006 Å
• c: 11.5627 ± 0.0007 Å
• α: 87.512 ± 0.003°
• β: 69.834 ± 0.003°
• γ: 64.064 ± 0.003°
• Cell volume: 1148.36 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No