Information card for entry 4345974

Structure parameters

• Formula: C36 H61 Cl4 Co N11 O2
• Calculated formula: C36 H60.9996 Cl4.0002 Co N11 O2
• Title of publication: Design and Magnetic Properties of a Mononuclear Co(II) Single Molecule Magnet and Its Antiferromagnetically Coupled Binuclear Derivative.
• Authors of publication: El-Khatib, Fatima; Cahier, Benjamin; Shao, Feng; López-Jordà, Maurici; Guillot, Régis; Rivière, Eric; Hafez, Hala; Saad, Zeinab; Girerd, Jean-Jacques; Guihéry, Nathalie; Mallah, Talal
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• a: 16.4177 ± 0.0005 Å
• b: 16.4177 ± 0.0005 Å
• c: 16.4177 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4425.2 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No