Information card for entry 4128040

Structure parameters

• Formula: C46 H79 B4 Cu3 F16 N15 O3.25
• Calculated formula: C46 H79 B4 Cu3 F16 N15 O3.25
• Title of publication: Triphenylene-Bridged Trinuclear Complexes of Cu: Models for Spin Interactions in Two-Dimensional Electrically Conductive Metal-Organic Frameworks.
• Authors of publication: Yang, Luming; He, Xin; Dincă, Mircea
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 26
• Pages of publication: 10475 - 10480
• a: 18.4103 ± 0.0012 Å
• b: 23.0536 ± 0.0015 Å
• c: 15.5199 ± 0.001 Å
• α: 90°
• β: 103.463 ± 0.002°
• γ: 90°
• Cell volume: 6406 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No