Information card for entry 7234881

Structure parameters

• Formula: C42 H42 Cd N12 O12
• Calculated formula: C42 H42 Cd N12 O12
• Title of publication: Selective recognition of Fe3+ and CrO42- ions using Zn(II) metallacycle and Cd(II) coordination polymer and their heterogeneous catalytic application
• Authors of publication: Kumar, Girijesh; Rani, Pooja; Sharma, Anjali; Husain, Ahmad; Kumar, Gulshan; Kaur, Harpreet; Bhasin, K.k
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 10.1917 ± 0.0003 Å
• b: 18.4359 ± 0.0005 Å
• c: 11.7353 ± 0.0003 Å
• α: 90°
• β: 95.771 ± 0.002°
• γ: 90°
• Cell volume: 2193.81 ± 0.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.1022
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No