Information card for entry 2312584

Structure parameters

• Chemical name: Aqua(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate
• Formula: C9 H14 Cu N4 O7
• Calculated formula: C9 H10 Cu N4 O5
• Title of publication: Multivalent hydrogen-bonded architectures directed by self-complementarity between [Cu(2,2'-biimidazole)] and malonate building blocks.
• Authors of publication: Atencio, Reinaldo; Linares, Marciel M.; González, Teresa; Briceño, Alexander
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• a: 7.0587 ± 0.0004 Å
• b: 20.3107 ± 0.0012 Å
• c: 18.9523 ± 0.001 Å
• α: 90°
• β: 91.77 ± 0.004°
• γ: 90°
• Cell volume: 2715.8 ± 0.3 ų
• Cell temperature: 298 ± 0.3 K
• Ambient diffraction temperature: 298.3 ± 0.3 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: 0.0704
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes