Information card for entry 7025969

Structure parameters

• Formula: C14 H18 Br4 Hg2 N2 O2
• Calculated formula: C14 H18 Br4 Hg2 N2 O2
• Title of publication: Reversible single-crystal to single-crystal transformations in a Hg(II) derivative. 1D-polymeric chain <=>2D-networking as a function of temperature.
• Authors of publication: Mobin, Shaikh M.; Srivastava, Ashwini K.; Mathur, Pradeep; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8698 - 8705
• a: 7.8101 ± 0.0002 Å
• b: 9.3923 ± 0.0002 Å
• c: 14.8571 ± 0.0003 Å
• α: 101.709 ± 0.002°
• β: 102.871 ± 0.002°
• γ: 90.718 ± 0.002°
• Cell volume: 1038.44 ± 0.04 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: 0.0754
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No