Information card for entry 7710380

Structure parameters

• Formula: C76 H122 Cu4 N26 O30
• Calculated formula: C76 H122 Cu4 N26 O30
• Title of publication: Multinuclear Ni(II) and Cu(II) complexes of meso 6+6 macrocyclic amine derived from trans-1,2-diaminocyclopentane and 2,6-diformylpyridine
• Authors of publication: Gregoliński, Janusz; Ślepokura, Katarzyna; Kłak, Julia; Witwicki, Maciej
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.371 ± 0.002 Å
• b: 24.469 ± 0.004 Å
• c: 16.157 ± 0.002 Å
• α: 90°
• β: 90.98 ± 0.02°
• γ: 90°
• Cell volume: 4494.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No