Information card for entry 7240970

Structure parameters

• Formula: C20 H21 Cd N5 O9
• Calculated formula: C20 H15 Cd N5 O9
• Title of publication: Luminescent CdII Metal‒Organic Frameworks based on Isoniazid using Mixed Ligand Approach
• Authors of publication: Husain, Ahmad; Rani, Pooja; ., Alisha; Sharma, Ananay; Mondal, Tuhina; Saha, Shyamal Kumar; Bhasin, K.k; Trivedi, Manoj; Kumar, Girijesh
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.1657 ± 0.0003 Å
• b: 21.3974 ± 0.0008 Å
• c: 14.5383 ± 0.0006 Å
• α: 90°
• β: 100.455 ± 0.004°
• γ: 90°
• Cell volume: 3109.9 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.2725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No