Information card for entry 1513030

Structure parameters

• Chemical name: catena-((μ~2~-Biphenyl-2,2'-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-cadmium(ii))
• Formula: C24 H22 Cd N4 O4
• Calculated formula: C24 H22 Cd N4 O4
• Title of publication: Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands
• Authors of publication: Jens Hunger
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 397
• Pages of publication: 60 - 68
• a: 12.1793 ± 0.0006 Å
• b: 12.1793 ± 0.0006 Å
• c: 26.9353 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3460.2 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No