Information card for entry 1513027

Structure parameters

• Chemical name: catena-((Biphenyl-2,2'-dicarboxylato)-bis(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-copper(ii) monohydrate)
• Formula: C34 H38 Cu N8 O5
• Calculated formula: C34 H38 Cu N8 O5
• 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: 8.4769 ± 0.0003 Å
• b: 18.5949 ± 0.0007 Å
• c: 22.2123 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3501.3 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0369
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No