Information card for entry 7202953

Structure parameters

• Formula: C12 H8 Br2 Hg N4 O
• Calculated formula: C12 H8 Br2 Hg N4 O
• Title of publication: Counter-ion influence on the coordination mode of the 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (bpo) ligand in mercury(ii) coordination polymers, [Hg(bpo)nX2]: X = I‒, Br‒, SCN‒, N3‒ and NO2‒; spectroscopic, thermal, fluorescence and structural studies
• Authors of publication: Mahmoudi, Ghodrat; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1062
• a: 5.2468 ± 0.0006 Å
• b: 21.221 ± 0.002 Å
• c: 13.2169 ± 0.0014 Å
• α: 90°
• β: 96.837 ± 0.002°
• γ: 90°
• Cell volume: 1461.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No