Information card for entry 7712194

Structure parameters

• Formula: C78 H74 Ce2 N6 O25 P6
• Calculated formula: C78 H72 Ce2 N6 O24.9998 P6
• Title of publication: Magnetic and optical studies of a new family of multidimensional and multiproperty PO-lanthanide(III) derived systems.
• Authors of publication: Pilichos, Evangelos; Tubau, Ànnia; Speed, Saskia; Font-Bardia, Mercè; Escuer, Albert; Grabulosa, Arnald; Mayans, Júlia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2485 - 2494
• a: 15.5252 ± 0.0003 Å
• b: 15.5252 ± 0.0003 Å
• c: 60.112 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12547.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No