Information card for entry 2023490

Structure parameters

• Chemical name: Poly[[aqua[μ~3~-3,10-bis(3-carboxypropyl)-1,3,5,8,10,12-hexaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^:κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''']-μ-chloridocopper(II)cadmium(II]] 1.25-hydrate]
• Formula: C16 H36.5 Cd Cl2 Cu N6 O6.25
• Calculated formula: C16 H36.5 Cd Cl2 Cu N6 O6.25
• Title of publication: Synthesis and structural characterization of the dichloride complex formed by carboxy-functionalized Cu(diazacyclam)2+ cation and its heterometallic coordination polymer with CdCl2
• Authors of publication: Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Stoica, Alexandru-Constantin; Lampeka, Yaroslaw D.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 10.1565 ± 0.0004 Å
• b: 10.4249 ± 0.0005 Å
• c: 14.6531 ± 0.0007 Å
• α: 80.305 ± 0.003°
• β: 80.117 ± 0.003°
• γ: 64.149 ± 0.003°
• Cell volume: 1367.82 ± 0.11 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No