Information card for entry 7222968

Structure parameters

• Formula: C18 H12 Cl2 N10 O0 Zn2
• Calculated formula: C18 H12 Cl2 N10 Zn2
• 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: 9.0585 ± 0.0018 Å
• b: 11.245 ± 0.002 Å
• c: 11.283 ± 0.002 Å
• α: 94.55 ± 0.03°
• β: 108.18 ± 0.03°
• γ: 93.49 ± 0.03°
• Cell volume: 1084 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No