Information card for entry 7702016

Structure parameters

• Formula: C46 H80 Er4 N10 O35 P4
• Calculated formula: C43.5 H75 Er4 N9.5 O35 P4
• Title of publication: Tetrametallic lanthanide(III) phosphonate cages: synthetic, structural and magnetic studies.
• Authors of publication: Zangana, Karzan H.; Pineda, Eufemio Moreno; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17101 - 17107
• a: 44.7348 ± 0.001 Å
• b: 19.1138 ± 0.0004 Å
• c: 23.8851 ± 0.0004 Å
• α: 90°
• β: 91.3155 ± 0.0018°
• γ: 90°
• Cell volume: 20417.6 ± 0.7 ų
• Cell temperature: 150.03 ± 0.18 K
• Ambient diffraction temperature: 150.03 ± 0.18 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No