Information card for entry 4342187

Structure parameters

• Formula: C44.5 H42.75 B3 Cu2 F12 N21.25
• Calculated formula: C44.502 H42.753 B3 Cu2 F12 N21.251
• Title of publication: Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes: Antiferromagnetic Superexchange Interactions.
• Authors of publication: Reger, Daniel L.; Pascui, Andrea E.; Smith, Mark D.; Jezierska, Julia; Ozarowski, Andrew
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1487 - 1500
• a: 12.8682 ± 0.0018 Å
• b: 13.9995 ± 0.0019 Å
• c: 15.841 ± 0.002 Å
• α: 90°
• β: 111.853 ± 0.003°
• γ: 90°
• Cell volume: 2648.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No