Information card for entry 1575147

Structure parameters

• Formula: C27.5 H30.5 Fe N12 O4.5 Pd
• Calculated formula: C27.5 H30.5 Fe N12 O4.5 Pd
• Title of publication: Entanglement of spin transition and structural adaptability: manipulating the slow spin equilibrium by the guest-mediated fine-tuning of elastic frustration.
• Authors of publication: Chai, Yuqiao; Yang, Yu-Ting; Xue, Jin-Peng
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 15555 - 15563
• a: 7.277 ± 0.0015 Å
• b: 14.509 ± 0.003 Å
• c: 15.381 ± 0.003 Å
• α: 104.67 ± 0.03°
• β: 99.99 ± 0.03°
• γ: 90.32 ± 0.03°
• Cell volume: 1545.1 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No