Information card for entry 7704620

Structure parameters

• Formula: C28 H59.75 Br0.67 Cl3.33 Cu1.61 N12 O12.87 Pd2.39
• Calculated formula: C28 H59.74 Br0.6666 Cl3.3333 Cu1.616 N12 O12.87 Pd2.384
• Title of publication: Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu²⁺ complexes of [1 + 1] 1H-pyrazole azamacrocycles.
• Authors of publication: Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 25
• Pages of publication: 8614 - 8624
• a: 12.8708 ± 0.0007 Å
• b: 19.3357 ± 0.0011 Å
• c: 19.8511 ± 0.0007 Å
• α: 90°
• β: 104.852 ± 0.004°
• γ: 90°
• Cell volume: 4775.2 ± 0.4 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No