Information card for entry 7047058

Structure parameters

• Formula: C53 H106.5 Cl Cu4 Fe2 N4.5 O17
• Calculated formula: C53 H106.5 Cl Cu4 Fe2 N4.5 O17
• Title of publication: Heterometallic Cu^IIFe^III and Cu^IIMn^III alkoxo-bridged complexes revealing a rare hexanuclear M₆(μ-X)₇(μ₃-X)₂ molecular core.
• Authors of publication: Nesterova, Oksana V.; Nesterov, Dmytro S.; Vranovičová, Beáta; Boča, Roman; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 10941 - 10952
• a: 16.296 ± 0.003 Å
• b: 23.48 ± 0.005 Å
• c: 36.268 ± 0.008 Å
• α: 90°
• β: 99.46 ± 0.008°
• γ: 90°
• Cell volume: 13689 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0819
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No