Information card for entry 7718216

Structure parameters

• Formula: C54 H94 Cu2 N8 O14 S
• Calculated formula: C54 H94 Cu2 N8 O14 S
• 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: 10.447 ± 0.0009 Å
• b: 17.1641 ± 0.0015 Å
• c: 19.1368 ± 0.0017 Å
• α: 64.427 ± 0.003°
• β: 89.789 ± 0.003°
• γ: 74.342 ± 0.003°
• Cell volume: 2955.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No