Information card for entry 7220663

Structure parameters

• Formula: C16 H14 Hg N2 O3
• Calculated formula: C16 H14 Hg N2 O3
• SMILES: c1(c(c(ccc1)O)O)O.c1cc(ccn1)[Hg]c1ccncc1
• Title of publication: Bis(4-pyridyl)mercury ‒ a new linear tecton in crystal engineering: coordination polymers and co-crystallization processes
• Authors of publication: Mocanu, Teodora; Raţ, Ciprian I.; Maxim, Catalin; Shova, Sergiu; Tudor, Violeta; Silvestru, Cristian; Andruh, Marius
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 5474
• a: 19.15 ± 0.004 Å
• b: 10.919 ± 0.002 Å
• c: 14.603 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3053.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No