Information card for entry 7713153

Structure parameters

• Chemical name: Ce_Crown
• Formula: C98 H155 Ce2 I3 O38 P6
• Calculated formula: C98 H155 Ce2 I3 O38 P6
• 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: 14.6386 ± 0.0003 Å
• b: 15.8305 ± 0.0005 Å
• c: 16.1766 ± 0.0004 Å
• α: 108.616 ± 0.002°
• β: 98.084 ± 0.002°
• γ: 106.682 ± 0.002°
• Cell volume: 3289.79 ± 0.17 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: 0.1013
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No