Information card for entry 7704617

Structure parameters

• Formula: C24 H50.74 Br0.44 Cl1.56 Cu2 N12 O2.37
• Calculated formula: C24 H50.748 Br0.437 Cl1.563 Cu2 N12 O2.374
• 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: 16.781 ± 0.0005 Å
• b: 9.134 ± 0.0001 Å
• c: 21.372 ± 0.0006 Å
• α: 90°
• β: 95.981 ± 0.001°
• γ: 90°
• Cell volume: 3258.02 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No