Information card for entry 2243138

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(perchlorato-κ<i>κO</i>)copper(II)]-μ-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^4^,<i>N</i>^5^] bis(perchlorate)]
• Formula: C13 H30 Cl3 Cu N5 O14
• Calculated formula: C13 H30 Cl3 Cu N5 O14
• Title of publication: The first structural characterization of the protonated azacyclam ligand in <i>catena</i>-poly[[[(perchlorato)copper(II)]-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane] bis(perchlorate)]
• Authors of publication: Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1700 - 1704
• a: 18.99 ± 0.004 Å
• b: 9.364 ± 0.0019 Å
• c: 13.636 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2424.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes