Information card for entry 7718212

Structure parameters

• Formula: C28 H36 Cu F6 N4 O6
• Calculated formula: C28 H36 Cu F6 N4 O6
• Title of publication: Unusual variability of isomers in copper(II) complexes with 1,8-bis(2-hydroxybenzyl)-cyclam.
• Authors of publication: Maďar, Milan; Faltejsek, Jan; Bušková, Hana; Koláčná, Lucie; Jaroš, Adam; Kotek, Jan; Straka, Michal; Kubíček, Vojtěch; Ludvík, Jiří
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3127 - 3140
• a: 10.2817 ± 0.0005 Å
• b: 14.916 ± 0.0006 Å
• c: 9.8782 ± 0.0005 Å
• α: 90°
• β: 103.85 ± 0.002°
• γ: 90°
• Cell volume: 1470.89 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No