Information card for entry 4326703

Structure parameters

• Formula: C17 H12 N12 O Zn
• Calculated formula: C17 H12 N12 O 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: 11.06 ± 0.002 Å
• b: 7.7694 ± 0.0016 Å
• c: 12.055 ± 0.002 Å
• α: 90°
• β: 114.69 ± 0.03°
• γ: 90°
• Cell volume: 941.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No