Information card for entry 7713156

Structure parameters

• Formula: C97 H160 I3 Nd2 O37 P6
• Calculated formula: C97 H160 I3 Nd2 O37 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: 14.348 ± 0.0008 Å
• b: 15.8035 ± 0.0009 Å
• c: 17.2262 ± 0.0008 Å
• α: 67.693 ± 0.005°
• β: 88.567 ± 0.004°
• γ: 63.094 ± 0.006°
• Cell volume: 3171.1 ± 0.4 ų
• Cell temperature: 123 ± 30 K
• Ambient diffraction temperature: 123 ± 30 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: 0.0817
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No