Information card for entry 4104864

Structure parameters

• Chemical name: Bis[potassium[2.2.2]cryptand]salt of 1,2-bis(dimethylamino)[3,2-c:2',3'-e] dithieno-1,2-dihydro-1,2-diborin
• Formula: C54 H96 B2 K2 N6 O13.5 S2
• Calculated formula: C54 H96 B2 K2 N6 O13.5 S2
• Title of publication: A B-B Bond-Containing Polycyclic π-Electron System: Dithieno-1,2-dihydro-1,2-diborin and Its Dianion
• Authors of publication: Atsushi Wakamiya; Kenji Mori; Takafumi Araki; Shigehiro Yamaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10850 - 10851
• a: 13.835 ± 0.004 Å
• b: 24.235 ± 0.007 Å
• c: 38.188 ± 0.011 Å
• α: 90°
• β: 99.229 ± 0.004°
• γ: 90°
• Cell volume: 12638 ± 6 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: 0.0871
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No