Information card for entry 4329970

Structure parameters

• Formula: C56 H72 Cl3 Cu2 F N16 O14
• Calculated formula: C56 H72 Cl3 Cu2 F N16 O14
• 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: 14.6292 ± 0.0007 Å
• b: 13.6388 ± 0.0007 Å
• c: 15.7461 ± 0.0008 Å
• α: 90°
• β: 94.847 ± 0.001°
• γ: 90°
• Cell volume: 3130.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No