Information card for entry 7710379

Structure parameters

• Formula: C72 H179 Cu6 N18 O62.5 S6
• Calculated formula: C72 H170 Cu6 N18 O62.5 S6
• 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: 12.697 ± 0.002 Å
• b: 15.022 ± 0.003 Å
• c: 17.907 ± 0.002 Å
• α: 98.93 ± 0.02°
• β: 100.75 ± 0.02°
• γ: 114.39 ± 0.02°
• Cell volume: 2951.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No