Information card for entry 7103610

Structure parameters

• Formula: C79 H79.33 B15 N15 O20.67
• Calculated formula: C79.0033 H70.02 B15 N15 O20.67
• Title of publication: 3-Pyridineboronic acid ‒> boroxine ‒> pentadecanuclear boron cage ‒> 3D molecular network: a sequence based on two levels of self-complementary self-assembly.
• Authors of publication: Salazar-Mendoza, Domingo; Guerrero-Alvarez, Jorge; Höpfl, Herbert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 48
• Pages of publication: 6543 - 6545
• a: 34.535 ± 0.003 Å
• b: 34.535 ± 0.003 Å
• c: 39.198 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 40486 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.2929
• Weighted residual factors for all reflections included in the refinement: 0.3087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No