Information card for entry 4347143

Structure parameters

• Formula: C336 H874 Cl98 Mn70 O360
• Calculated formula: C204 H334 Cl36 Mn70 O260
• Title of publication: Molecules at the Quantum-Classical Nanoparticle Interface: Giant Mn70 Single-Molecule Magnets of ∼4 nm Diameter.
• Authors of publication: Vinslava, Alina; Tasiopoulos, Anastasios J.; Wernsdorfer, Wolfgang; Abboud, Khalil A.; Christou, George
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3419 - 3430
• a: 40.554 ± 0.004 Å
• b: 52.19 ± 0.006 Å
• c: 17.1744 ± 0.0019 Å
• α: 90°
• β: 108.378 ± 0.001°
• γ: 90°
• Cell volume: 34496 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No