Information card for entry 7704618

Structure parameters

• Formula: C14 H28.07 Br0.27 Cl1.69 Cu2 N6 O6.93
• Calculated formula: C14 H28.071 Br0.2715 Cl1.693 Cu2 N6 O6.929
• 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: 11.1587 ± 0.0005 Å
• b: 22.0003 ± 0.001 Å
• c: 17.5957 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4319.7 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No