Information card for entry 7712319

Structure parameters

• Formula: C50 H120 Cl3 Cu4 Gd N8 O34
• Calculated formula: C50 H116 Cl3 Cu4 Gd N8 O34
• Title of publication: Elucidating the exchange interactions in a {GdIIICuII4} propellor
• Authors of publication: Heras Ojea, María José; Wilson, Claire; Cirera, Jordi; Oshio, Hiroki; Ruiz, Eliseo; Murrie, Mark
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 3203 - 3209
• a: 32.405 ± 0.002 Å
• b: 11.045 ± 0.0006 Å
• c: 25.0948 ± 0.0017 Å
• α: 90°
• β: 125.61 ± 0.003°
• γ: 90°
• Cell volume: 7302.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0871
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No