Information card for entry 7245638

Structure parameters

• Formula: C53 H41 Cd2 Cl3 I4 N4 O8
• Calculated formula: C53 H41 Cd2 Cl3 I4 N4 O8
• Title of publication: Design of Coordination Polymers based on combinations of 1,2-diphenylethane-1,2-diyl diisonicotinate with Cu(II), Zn(II), Cd(II) and Co(II)
• Authors of publication: Zazouli, Sofia; Kyritsakas, Nathalie; Bulach, Veronique; Ferlay, Sylvie; Jouaiti, Abdelaziz
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 15.0994 ± 0.0015 Å
• b: 7.2763 ± 0.0006 Å
• c: 26.937 ± 0.003 Å
• α: 90°
• β: 100.19 ± 0.002°
• γ: 90°
• Cell volume: 2912.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No