Information card for entry 8102417

Structure parameters

• Chemical name: Diaqua(2-methylpyrazine-5-carboxylic acid)copper(II) dinitrate dihydrate, [Cu(C~6~H~6~N~2~O~2~)~2~(H~2~O)~2~]2NO~3~2H~2~O
• Formula: C12 H20 Cu N6 O14
• Calculated formula: C12 H20 Cu N6 O14
• Title of publication: Crystal structure of diaqua(2-methylpyrazine-5-carboxylato)copper(II) dinitrate dihydrate, [Cu(C6H6N2O2)2(H2O)2][NO3]2 · 2H2O
• Authors of publication: Bin Liu; Bo-Lun Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 135
• a: 8.3776 ± 0.0014 Å
• b: 16.239 ± 0.003 Å
• c: 7.6749 ± 0.0013 Å
• α: 90°
• β: 98.532 ± 0.003°
• γ: 90°
• Cell volume: 1032.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No