Information card for entry 2312586

Structure parameters

• Chemical name: Bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')copper(II) bis[bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')(2-carboxyacetato-κ<i>O</i>^2^)(malonato-κ<i>O</i>)copper(II)] 13-hydrate
• Formula: C48 H72 Cu3 N24 O29
• Calculated formula: C48 H46 Cu3 N24 O16
• 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: 7.7912 ± 0.0006 Å
• b: 12.5972 ± 0.001 Å
• c: 32.481 ± 0.003 Å
• α: 90°
• β: 96.802 ± 0.002°
• γ: 90°
• Cell volume: 3165.5 ± 0.5 ų
• Cell temperature: 298 ± 0.3 K
• Ambient diffraction temperature: 298 ± 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: 0.1565
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes