Information card for entry 7201029

Structure parameters

• Formula: C6 H8 Br2 Hg N2
• Calculated formula: C6 H8 Br2 Hg N2
• Title of publication: Mercury(II) metal‒organic coordination polymers with pyrazine derivatives
• Authors of publication: Mahmoudi, Ghodrat; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1868
• a: 4.0289 ± 0.0008 Å
• b: 10.454 ± 0.002 Å
• c: 12.306 ± 0.002 Å
• α: 105.738 ± 0.004°
• β: 94.848 ± 0.004°
• γ: 100.308 ± 0.004°
• Cell volume: 485.96 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No