Information card for entry 7702017

Structure parameters

• Formula: C51 H85 Gd4 N11 O35 P4
• Calculated formula: C48.5 H80 Gd4 N10.5 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: 44.8769 ± 0.0007 Å
• b: 19.0562 ± 0.0004 Å
• c: 24.0257 ± 0.0004 Å
• α: 90°
• β: 91.0776 ± 0.0016°
• γ: 90°
• Cell volume: 20542.7 ± 0.6 ų
• Cell temperature: 150.01 ± 0.11 K
• Ambient diffraction temperature: 150.01 ± 0.11 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: 0.0488
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No