Information card for entry 7132347

Structure parameters

• Formula: C92 H116 Cu N4 O8
• Calculated formula: C92 H116 Cu N4 O8
• SMILES: n12c3=C(c4[n]5c(=C(c6n7c(cc6)C(=c6[n](c(cc6)C(=c1cc3)c1ccc(cc1)C(=O)OCCCCCCCCCCC)[Cu]257)c1ccc(cc1)C(=O)OCCCCCCCCCCC)c1ccc(cc1)C(=O)OCCCCCCCCCCC)cc4)c1ccc(cc1)C(=O)OCCCCCCCCCCC
• Title of publication: Molecular elastic crystals exhibiting slow magnetic relaxations
• Authors of publication: Kato, Hinako; Horii, Yoji; Noguchi, Mariko; Fujimori, Hiroki; Kajiwara, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.2898 ± 0.0006 Å
• b: 17.016 ± 0.0006 Å
• c: 25.7914 ± 0.0012 Å
• α: 88.749 ± 0.003°
• β: 82.945 ± 0.005°
• γ: 81.204 ± 0.004°
• Cell volume: 3998.5 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1777
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No