Information card for entry 4329972

Structure parameters

• Formula: C60 H74 Br Cl3 Cu2 N18 O12
• Calculated formula: C60 H74 Br Cl3 Cu2 N18 O12
• Title of publication: Halide and Hydroxide Linearly Bridged Bimetallic Copper(II) Complexes: Trends in Strong Antiferromagnetic Superexchange Interactions
• Authors of publication: Daniel L. Reger; Andrea E. Pascui; Mark D. Smith; Julia Jezierska; Andrew Ozarowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7966 - 7968
• a: 23.9421 ± 0.0017 Å
• b: 12.3031 ± 0.0009 Å
• c: 23.6249 ± 0.0017 Å
• α: 90°
• β: 103.64 ± 0.002°
• γ: 90°
• Cell volume: 6762.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No