Information card for entry 2238744

Structure parameters

• Chemical name: Poly[[μ-chlorido-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4'^]-zinc] chloride dihydrate]
• Formula: C26 H28 Cl2 F4 N12 O4 Zn
• Calculated formula: C26 H28 Cl2 F4 N12 O4 Zn
• Title of publication: Poly[[μ-chlorido-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4'^]-zinc] chloride dihydrate]
• Authors of publication: Pan, Gang-Hong; Tang, Jin-Niu; Xu, Shi-Hua; Huang, Zhong-Jing; Mo, Bo-Fa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m573
• a: 10.231 ± 0.0006 Å
• b: 11.8118 ± 0.0006 Å
• c: 14.3588 ± 0.0009 Å
• α: 91.191 ± 0.007°
• β: 107.481 ± 0.005°
• γ: 106.074 ± 0.006°
• Cell volume: 1580.1 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.3064
• 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