Information card for entry 2236508

Structure parameters

• Chemical name: Poly[aqua-μ-bromido-(μ~2~-5-methylpyrazine-2-carboxylato- κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^)lead(II)]
• Formula: C6 H7 Br N2 O3 Pb
• Calculated formula: C6 H7 Br N2 O3 Pb
• SMILES: O.[Pb+2].[O-]C(=O)c1cnc(cn1)C.[Br-]
• Title of publication: Poly[aqua-μ-bromido-(μ~2~-5-methylpyrazine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^)lead(II)]
• Authors of publication: Yang, Pan; Liu, Yan; Li, Hua Yun; Ding, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1139
• a: 7.5493 ± 0.001 Å
• b: 6.6775 ± 0.0009 Å
• c: 19.335 ± 0.003 Å
• α: 90°
• β: 92.884 ± 0.002°
• γ: 90°
• Cell volume: 973.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes