Information card for entry 2019145

Structure parameters

• Chemical name: <i>catena</i>-poly[[(methanol-κ<i>O</i>)(nitrato-κ<i>O</i>)cadmium(II)]-μ-3-(pyridin-2-yl)-5-(1<i>H</i>-1,2,4-triazol-5-yl)-4<i>H</i>-1,2,4-triazol-4-ido]
• Formula: C10 H10 Cd N8 O4
• Calculated formula: C10 H10 Cd N8 O4
• SMILES: [Cd]12(ON(=O)=O)([OH]C)([n]3ccccc3c3n1c(nn3)c1ncn[nH]1)[n]1nc3[n]([Cd](ON(=O)=O)([OH]C)[n]4ccccc34)c1c1[n]2cn[nH]1
• Title of publication: A one-dimensional coordination polymer of 5-(pyridin-2-yl)-3,3'-bi(4<i>H</i>-1,2,4-triazole) with Cd(NO~3~)~2~
• Authors of publication: Mao, Wen-Zhao; Chen, Jing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 1006 - 1009
• a: 8.0272 ± 0.0013 Å
• b: 17.482 ± 0.003 Å
• c: 11.4236 ± 0.0013 Å
• α: 90°
• β: 118.899 ± 0.008°
• γ: 90°
• Cell volume: 1403.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes