Information card for entry 2226515

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(μ-3-aminopyrazine-2-carboxylato)- κ^3^<i>N</i>^1^,<i>O</i>:<i>O</i>;κ^3^<i>O</i>: <i>N</i>^1^,<i>O</i>)dilithium]-di-μ-aqua]
• Formula: C10 H12 Li2 N6 O6
• Calculated formula: C10 H12 Li2 N6 O6
• SMILES: [Li]12([OH2])[n]3c(c(ncc3)N)C(=O)[O]1[Li]1([OH2])[n]3c(c(ncc3)N)C(=O)[O]12
• Title of publication: <i>catena</i>-Poly[[bis(μ-3-aminopyrazine-2-carboxylato)-κ^3^<i>N</i>^1^,<i>O</i>:<i>O</i>;κ^3^<i>O</i>:<i>N</i>^1^,<i>O</i>)dilithium]-di-μ-aqua]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m744 - m745
• a: 14.279 ± 0.003 Å
• b: 3.6 ± 0.0007 Å
• c: 13.3 ± 0.003 Å
• α: 90°
• β: 106.43 ± 0.03°
• γ: 90°
• Cell volume: 655.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes