Information card for entry 7033974

Structure parameters

• Formula: C12 H9 Br Hg I2 N2
• Calculated formula: C12 H9 Br Hg I2 N2
• Title of publication: The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.
• Authors of publication: Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5703 - 5712
• a: 16.3554 ± 0.0007 Å
• b: 22.6143 ± 0.0007 Å
• c: 4.2385 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1567.68 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No