Information card for entry 4334778

Structure parameters

• Formula: C8 H12 B Cl2 N11 O8
• Calculated formula: C8 H12 B Cl2 N11 O8
• Title of publication: Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate
• Authors of publication: Ralf Haiges; C. Bigler Jones; Karl O. Christe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5551 - 5558
• a: 7.4547 ± 0.0019 Å
• b: 10.322 ± 0.003 Å
• c: 12.988 ± 0.003 Å
• α: 84.511 ± 0.004°
• β: 78.393 ± 0.004°
• γ: 77.534 ± 0.004°
• Cell volume: 954.5 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No