Information card for entry 2022306

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diiodidozinc(II)]-μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine] chloroform monosolvate]
• Formula: C13 H11 Cl3 I2 N6 Zn
• Calculated formula: C13 H11 Cl3 I2 N6 Zn
• Title of publication: Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand
• Authors of publication: Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 29 - 39
• a: 9.804 ± 0.013 Å
• b: 11.35 ± 0.014 Å
• c: 11.35 ± 0.014 Å
• α: 69.43 ± 0.014°
• β: 65.912 ± 0.018°
• γ: 65.912 ± 0.018°
• Cell volume: 1026 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1638
• Residual factor for significantly intense reflections: 0.1308
• Weighted residual factors for significantly intense reflections: 0.3222
• Weighted residual factors for all reflections included in the refinement: 0.3469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes