Information card for entry 4516131

Structure parameters

• Common name: (mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-(mu2-azide)-bis(perchlorate)-di-copper(ii) perchlorate hydrate
• Formula: C32 H63 Cl3 Cu2 N11 O12.5
• Calculated formula: C32 H62 Cl3 Cu2 N11 O12.5
• Title of publication: Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex.
• Authors of publication: Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 15692 - 15701
• a: 24.6695 ± 0.0014 Å
• b: 18.6531 ± 0.001 Å
• c: 20.3858 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9380.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2285
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No