Information card for entry 1575901

Structure parameters

• Formula: C66 H82 B Gd N2 O3
• Calculated formula: C66 H82 B Gd N2 O3
• Title of publication: Magnetic hysteresis in 1D organometallic lanthanide chain compounds containing 4,4'-bipyridine.
• Authors of publication: Castellanos, Ernesto; Benner, Florian; Deshapriya, Saroshan; Demir, Selvan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 18616 - 18631
• a: 17.4145 ± 0.0008 Å
• b: 21.4824 ± 0.0005 Å
• c: 17.5221 ± 0.0007 Å
• α: 90°
• β: 119.353 ± 0.006°
• γ: 90°
• Cell volume: 5713.5 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0789
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No