Information card for entry 2312583

Structure parameters

• Chemical name: Tetrakis(2,2'-biimidazole)-1κ^4^<i>N</i>,<i>N</i>';3κ^4^<i>N</i>,<i>N</i>'-di-μ-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>;2:3κ^2^<i>Cl</i>:<i>Cl</i>-dimalonato-2κ^4^<i>O</i>,<i>O</i>'-tricopper(II) pentahydrate
• Formula: C30 H38 Cl2 Cu3 N16 O13
• Calculated formula: C30 H28 Cl2 Cu3 N16 O8
• 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: 13.766 ± 0.003 Å
• b: 20.162 ± 0.004 Å
• c: 30.654 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8508 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes