Information card for entry 8100006

Structure parameters

• Formula: C11 H14 Cu N4 O7
• Calculated formula: C11 H14 Cu N4 O7
• SMILES: [Cu]12([n]3c(C(=O)O2)cccc3C(=O)O1)[n]1c(nccc1)N.O.O.O
• Title of publication: Crystal structure of (2-aminopyrimidine)-(pyridine-2,6-dicarboxylato)- copper(II) trihydrate, Cu(C~4~H~5~N~3~)(C~7~H~3~NO~4~) · 3 H~2~O
• Authors of publication: Altin, Ergün; Kirchmaier, Ralph; Lentz, Axel
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 1
• Pages of publication: 35 - 36
• a: 7.5217 ± 0.0018 Å
• b: 9.754 ± 0.003 Å
• c: 11.349 ± 0.003 Å
• α: 108.87 ± 0.03°
• β: 96.53 ± 0.03°
• γ: 111.55 ± 0.03°
• Cell volume: 706.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No