Information card for entry 7251434

Structure parameters

• Formula: C369 H266 Cl24 Cu24 Mn6 N40.5 O90.25
• Calculated formula: C356 H246 Cl24 Cu24 Mn6 N34 O90
• Title of publication: A Preformed 1‐D {CuII2}n Helical Chain as Precursor to a Decanuclear 0-D {CuII8MnII2} Cluster: Synthesis, Structure and Magnetism
• Authors of publication: Pantelis, Konstantinos; Alexandropoulos, Dimitris I.; Escuer, Albert; Kostakis, George E.; Stamatatos, Theocharis C.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 77.1822 ± 0.0012 Å
• b: 16.6415 ± 0.0004 Å
• c: 29.2589 ± 0.0007 Å
• α: 90°
• β: 100.799 ± 0.002°
• γ: 90°
• Cell volume: 36915.4 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No