Information card for entry 7710377

Structure parameters

• Formula: C84 H144 Cl12.5 N24 Ni6.25 O12
• Calculated formula: C84 H128 Cl12.5 N24 Ni6.25 O12
• 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: 11.665 ± 0.003 Å
• b: 14.436 ± 0.004 Å
• c: 17.691 ± 0.004 Å
• α: 71.42 ± 0.02°
• β: 78.55 ± 0.02°
• γ: 75.98 ± 0.02°
• Cell volume: 2715.8 ± 1.3 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.1336
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No