Information card for entry 2020423

Structure parameters

• Chemical name: Dichlorido[tris(piperidin-1-yl)phosphane oxide-κ<i>O</i>]mercury(II)‒dichloridomercury(II) (2/1)
• Formula: C30 H60 Cl6 Hg3 N6 O2 P2
• Calculated formula: C30 H60 Cl6 Hg3 N6 O2 P2
• SMILES: C1CCCCN1P(N1CCCCC1)(N1CCCCC1)=[O][Hg](Cl)Cl.[Hg](Cl)Cl.[Hg]([O]=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1)(Cl)Cl
• Title of publication: The first phosphoramide‒mercury(II) complex with a Cl~2~Hg‒OP[N(C)(C)]~3~ segment
• Authors of publication: Saneei, Anahid; Pourayoubi, Mehrdad; Crochet, Aurelien; Fromm, Katharina M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 230 - 233
• a: 11.1182 ± 0.0015 Å
• b: 10.5995 ± 0.0008 Å
• c: 19.338 ± 0.003 Å
• α: 90°
• β: 96.337 ± 0.011°
• γ: 90°
• Cell volume: 2265 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes