Information card for entry 7713155

Structure parameters

• Chemical name: Pr Crown
• Formula: C100 H163 I3 O38 P6 Pr2
• Calculated formula: C100 H163 I3 O38 P6 Pr2
• Title of publication: Field-Induced SIM Behaviour in Early Lanthanide(III) Organophosphates Incorporating 18-crown-6
• Authors of publication: Borah, Aditya; Dey, Sourav; Gupta, Sandeep Kumar; Rajaraman, Gopalan; Murugavel, Ramaswamy
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.33192 ± 0.00019 Å
• b: 15.041 ± 0.0002 Å
• c: 17.6013 ± 0.0002 Å
• α: 111.836 ± 0.0012°
• β: 90.642 ± 0.001°
• γ: 111.769 ± 0.0012°
• Cell volume: 3221.53 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0368
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No