Information card for entry 2217081

Structure parameters

• Chemical name: [1,2-Bis(diisopropylphosphino)-1,2-dicarba-closo-dodecaborane-\ κ^2^P,P']dichloridomercury(II)
• Formula: C14 H38 B10 Cl2 Hg P2
• Calculated formula: C14 H38 B10 Cl2 Hg P2
• SMILES: [P]1([Hg]([P]([C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%152([BH]2%163[BH]346[BH]479[BH]6%10%12[BH]%13%152[BH]%16346)[C]158%11%14)(C(C)C)C(C)C)(Cl)Cl)(C(C)C)C(C)C
• Title of publication: [1,2-Bis(diisopropylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane-κ^2^<i>P</i>,<i>P</i>']dichloridomercury(II)
• Authors of publication: Fangfang Su; Qingliang Guo; Jianmin Dou; Dacheng Li; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m134 - m134
• a: 21.11 ± 0.003 Å
• b: 21.11 ± 0.003 Å
• c: 24.585 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10956 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes