Information card for entry 4080577

Structure parameters

• Formula: C17 H24 B10 Co3 F6 P S3
• Calculated formula: C17 H24 B10 Co3 F6 P S3
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[B]9%1668[B]6825[BH]251[BH]%11%14([B]%15962[S]1[Co]269%11%14%15([cH]%17[cH]2[cH]6[cH]9[cH]%11%17)[Co]269%11%17([cH]%18[cH]2[cH]6[cH]9[cH]%11%18)([Co]269%111%14([cH]1[cH]2[cH]6[cH]9[cH]%111)[S]%16%17)[S]8%15)[CH]4%135[CH]37%10%12.F[P](F)(F)(F)(F)[F-]
• Title of publication: Boron-Substitutedo-Carboranetrithiol To Construct Trimeric Cobalt Clusters
• Authors of publication: Zhang, Xiaolei; Tang, Xiao; Yang, Jiajia; Li, Yizhi; Yan, Hong; Bregadze, Vladimir I.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 2014
• a: 10.144 ± 0.005 Å
• b: 9.361 ± 0.004 Å
• c: 29.836 ± 0.014 Å
• α: 90°
• β: 93.618 ± 0.008°
• γ: 90°
• Cell volume: 2828 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No