Information card for entry 7240230

Structure parameters

• Formula: C9 H9 O5.5 P1.25 Zn
• Calculated formula: C9 H9 O5.5 P1.25 Zn
• Title of publication: Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology
• Authors of publication: Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 21.4445 ± 0.0011 Å
• b: 21.4445 ± 0.0011 Å
• c: 9.3118 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4282.2 ± 0.4 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No