Information card for entry 1513029

Structure parameters

• Chemical name: catena-((μ~2~-Biphenyl-2,2'-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-zinc(ii) hemihydrate)
• Formula: C24 H23.21 N4 O4.61 Zn
• Calculated formula: C24 H23.21 N4 O4.605 Zn
• 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: 11.1779 ± 0.0009 Å
• b: 13.3676 ± 0.0014 Å
• c: 16.3999 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2450.5 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No