Information card for entry 7718207

Structure parameters

• Formula: C24 H36 Cl2 Cu N4 O2
• Calculated formula: C24 H36 Cl2 Cu N4 O2
• 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: 9.4953 ± 0.0003 Å
• b: 8.1407 ± 0.0003 Å
• c: 16.175 ± 0.0006 Å
• α: 90°
• β: 97.589 ± 0.001°
• γ: 90°
• Cell volume: 1239.35 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No