Information card for entry 7206337

Structure parameters

• Formula: C9 H6 Br4 K O3
• Calculated formula: C9 H6 Br4 K O3
• Title of publication: Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals
• Authors of publication: Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 5170
• a: 7.594 ± 0.0002 Å
• b: 10.6229 ± 0.0004 Å
• c: 16.928 ± 0.0005 Å
• α: 91.426 ± 0.003°
• β: 91.085 ± 0.003°
• γ: 100.728 ± 0.003°
• Cell volume: 1340.92 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No