Information card for entry 1560786

Structure parameters

• Chemical name: catena-[bis(μ~2~-1<i>H</i>-pyrazole-3-carboxylato-κ^4^N,O:O,O')(μ~2~-\ 1<i>H</i>-pyrazole-3-carboxylato-κ^3^N,O:O')(μ~2~-1<i>H</i>-pyrazole-3-\ carboxylato-κ^4^O,O':O',N)bislead(II)]
• Formula: C16 H12 N8 O8 Pb2
• Calculated formula: C16 H12 N8 O8 Pb2
• Title of publication: Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
• Authors of publication: Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Khavryuchenko, Oleksiy V.; Kupcewicz, Bogumiła; Barszcz, Barbara
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 266
• Pages of publication: 100 - 111
• a: 11.0302 ± 0.0005 Å
• b: 23.6286 ± 0.0007 Å
• c: 8.6039 ± 0.0003 Å
• α: 90°
• β: 110.274 ± 0.003°
• γ: 90°
• Cell volume: 2103.49 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No