Information card for entry 7705216

Structure parameters

• Formula: C14 H10 B10 F10
• Calculated formula: C14 H10 B10 F10
• SMILES: Fc1c([C]2345[C]678(c9c(F)c(F)c(F)c(F)c9F)[BH]9%102[BH]2%117[BH]7%12%10[BH]%1059[BH]594[BH]436[BH]382[BH]294[BH]7%105[BH]%11%1232)c(F)c(F)c(F)c1F
• Title of publication: Bis(pentafluorophenyl)-o-carborane and its arylthio derivatives: synthesis, electrochemistry and optical properties.
• Authors of publication: Shida, Naoki; Owaki, Satoshi; Eguchi, Hiroshi; Nishikawa, Takanobu; Tomita, Ikuyoshi; Inagi, Shinsuke
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 12985 - 12989
• a: 9.7685 ± 0.0013 Å
• b: 10.294 ± 0.0014 Å
• c: 11.1361 ± 0.0015 Å
• α: 116.86 ± 0.003°
• β: 94.106 ± 0.004°
• γ: 90.486 ± 0.004°
• Cell volume: 995.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No