Information card for entry 2230859

Structure parameters

• Chemical name: Poly[di-μ-chlorido-μ-(1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin- 9-one-κ^2^<i>N</i>:<i>O</i>)-mercury(II)]
• Formula: C11 H10 Cl2 Hg N2 O
• Calculated formula: C11 H10 Cl2 Hg N2 O
• SMILES: C12CCCN2C(=O)c2ccccc2[N]=1[Hg](Cl)Cl
• Title of publication: Poly[di-μ-chlorido-μ-(1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-9-one-κ^2^<i>N</i>:<i>O</i>)-mercury(II)]
• Authors of publication: Turgunov, Kambarali K.; Wang, Yutian; Englert, Ulli; Shakhidoyatov, Khusnutdin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m953 - m954
• a: 7.7275 ± 0.0011 Å
• b: 9.4705 ± 0.0013 Å
• c: 16.729 ± 0.002 Å
• α: 90°
• β: 101.416 ± 0.002°
• γ: 90°
• Cell volume: 1200.1 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes