Information card for entry 7202950

Structure parameters

• Formula: C24 H16 Hg N14 O2
• Calculated formula: C24 H16 Hg N14 O2
• SMILES: c1(c2cc[n](cc2)[Hg]([n]2ccc(c3nnc(c4ccncc4)o3)cc2)(N=N#N)N=N#N)nnc(c2ccncc2)o1
• 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: 10.6509 ± 0.0005 Å
• b: 15.9095 ± 0.0008 Å
• c: 7.248 ± 0.0004 Å
• α: 90°
• β: 93.044 ± 0.005°
• γ: 90°
• Cell volume: 1226.44 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No