Information card for entry 7021776

Structure parameters

• Formula: C12 H12 Cl4 Hg2 N2 O2
• Calculated formula: C12 H12 Cl4 Hg2 N2 O2
• SMILES: c1cccc2[n]1[Hg]1(Cl)([Cl][Hg]3([n]4ccccc4C[OH]3)(Cl)[Cl]1)[OH]C2
• Title of publication: Formation of a 1D-polymeric chain of Hg building blocks through C-C coupling under ambient conditions.
• Authors of publication: Mobin, Shaikh M.; Mishra, Veenu; Ram, Priti; Birla, Anil; Mathur, Pradeep
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 30
• Pages of publication: 10687 - 10689
• a: 7.2128 ± 0.0004 Å
• b: 7.3831 ± 0.0004 Å
• c: 9.467 ± 0.0004 Å
• α: 107.164 ± 0.004°
• β: 92.654 ± 0.004°
• γ: 112.675 ± 0.005°
• Cell volume: 437.07 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No