Information card for entry 4504286

Structure parameters

• Formula: C10 H10 N12 O2 Zn
• Calculated formula: C10 H10 N12 O2 Zn
• SMILES: c1cncc2c3n([Zn]4([n]12)([OH2])([n]1ccncc1c1n4nnn1)[OH2])nnn3
• Title of publication: Metal-Directed Supramolecular Architectures: From Mononuclear to 3D Frameworks Based on In Situ Tetrazole Ligand Synthesis
• Authors of publication: Li, Zhen; Li, Mian; Zhou, Xiao-Ping; Wu, Tao; Li, Dan; Ng, Seik Weng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 1992
• a: 6.091 ± 0.0006 Å
• b: 11.4576 ± 0.0012 Å
• c: 10.686 ± 0.0011 Å
• α: 90°
• β: 105.626 ± 0.002°
• γ: 90°
• Cell volume: 718.19 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No