Information card for entry 4322573

Structure parameters

• Formula: C42 H32.5 Cl6 N12 O1.25 Zn3
• Calculated formula: C42 H30 Cl6 N12 O1.25 Zn3
• Title of publication: Trinuclear Zinc(II) Complexes and Polymeric Cadmium(II) Complexes with the Ligand 2,5-Bis(2-pyridyl)pyrazine: Synthesis, Spectral Analysis, and Single-Crystal and Powder X-ray Analyses
• Authors of publication: Antonia Neels; Helen Stoeckli-Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 6164 - 6170
• a: 26.3115 ± 0.0012 Å
• b: 26.3115 ± 0.0012 Å
• c: 26.3115 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18215.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No