Information card for entry 7227806

Structure parameters

• Formula: C16 H32 N4 O20 Zr
• Calculated formula: C16 H32 N4 O20 Zr
• Title of publication: Hydrogen-bonded supramolecular architectures based on [Zr(C2O4)4]4− anion and protonated polyamine cations
• Authors of publication: Hamdouni, Monia; Walha, Siwar; Duhayon, Carine; Kabadou, Ahlem; Sutter, Jean-Pascal
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 1633
• a: 7.5408 ± 0.0003 Å
• b: 11.7049 ± 0.0005 Å
• c: 15.9042 ± 0.0006 Å
• α: 90.095 ± 0.002°
• β: 102.741 ± 0.002°
• γ: 106.596 ± 0.002°
• Cell volume: 1309.03 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No