Information card for entry 2017863

Structure parameters

• Chemical name: Poly[[(μ~3~-benzotriazole-5-carboxylato- κ^4^<i>N</i>^1^:<i>N</i>^3^:<i>O</i>,<i>O</i>')(1,4,8,9-tetraazatriphenylene- κ^2^<i>N</i>^8^,<i>N</i>^9^)zinc(II)] 0.25-hydrate]
• Formula: C21 H11.5 N7 O2.25 Zn
• Calculated formula: C21 H11 N7 O2.25 Zn
• Title of publication: A two-dimensional Zn^II^ coordination polymer constructed by benzotriazole-5-carboxylate and 1,4,8,9-tetraazatriphenylene
• Authors of publication: Lu, Rui-Yun; Luan, Guo-You; Han, Zheng-Bo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m283 - m285
• a: 17.3649 ± 0.0009 Å
• b: 8.6087 ± 0.0004 Å
• c: 23.8669 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3567.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No