Information card for entry 2239269

Structure parameters

• Chemical name: [1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane-2κ^2^<i>P</i>,<i>P</i>']di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-1κ^2^<i>Cl</i>-dimercury(II)
• Formula: C26 H54 B10 Cl4 Hg2 P2
• Calculated formula: C26 H54 B10 Cl4 Hg2 P2
• SMILES: [Hg]12([P]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[BH]5%14%15[BH]%167([BH]78%10[BH]8%113[BH]%1245[BH]%14%1678)[C]69%13%15[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[Cl][Hg]([Cl]2)(Cl)Cl
• Title of publication: [1,2-Bis(dicyclohexylphosphanyl)-1,2-dicarba-<i>closo</i>-dodecaborane-2κ^2^<i>P</i>,<i>P</i>']di-μ-chlorido-1:2κ^4^<i>Cl</i>:<i>Cl</i>-dichlorido-1κ^2^<i>Cl</i>-dimercury(II)
• Authors of publication: Yang, Liguo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: m140
• a: 10.2233 ± 0.0011 Å
• b: 16.6581 ± 0.0018 Å
• c: 11.7146 ± 0.0015 Å
• α: 90°
• β: 95 ± 0.001°
• γ: 90°
• Cell volume: 1987.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes