Information card for entry 7119974

Structure parameters

• Formula: C51 H96 Co3 Gd3 N6 O32
• Calculated formula: C51 H96 Co3 Gd3 N6 O32
• Title of publication: A topologically unique alternating {CoGd} magnetocaloric ring.
• Authors of publication: Ojea, María José Heras; Lorusso, Giulia; Craig, Gavin A.; Wilson, Claire; Evangelisti, Marco; Murrie, Mark
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 4799 - 4802
• a: 26.644 ± 0.003 Å
• b: 26.644 ± 0.003 Å
• c: 27.368 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19429 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No