Information card for entry 4326704

Structure parameters

• Formula: C16 H8 N12 O0 Zn
• Calculated formula: C16 H8 N12 Zn
• Title of publication: Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures
• Authors of publication: Tong-Liang Hu; Ying Tao; Ze Chang; Xian-He Bu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10994 - 11003
• a: 8.0503 ± 0.0016 Å
• b: 8.8185 ± 0.0018 Å
• c: 22.972 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1630.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No