Information card for entry 7222967

Structure parameters

• Formula: C18 H14 N10 O Zn
• Calculated formula: C18 H14 N10 O Zn
• Title of publication: Structure modulation in zinc-ditetrazolate coordination polymers by in situ ligand synthesis
• Authors of publication: Li, Yunwu; Ma, huiyan; Wang, Suna; Xu, Jian; Li, Da-Cheng; Dou, Jianmin; Bu, Xian-He
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 20.622 ± 0.008 Å
• b: 9.858 ± 0.002 Å
• c: 19.482 ± 0.004 Å
• α: 90°
• β: 117.55 ± 0.03°
• γ: 90°
• Cell volume: 3511 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No