Information card for entry 7058888

Structure parameters

• Formula: C13 H8 K N3 Ni O4 S
• Calculated formula: C13 H8 K N3 Ni O4 S
• Title of publication: 3D heterometallic Ni(II)/K(I) MOF with a rare rna topology: synthesis, structural features, and photocatalytic dye degradation modeling
• Authors of publication: Abedi, Marjan; Mahmoudi, Ghodrat; Hayati, Payam; Machura, Barbara; Zubkov, Fedor Ivanovich; Mohammadi, Khosro; Bahrami, Shima; Derikvandi, Hadis; Mehrabadi, Zohreh; Kirillov, Alexander M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 17457 - 17465
• a: 8.4098 ± 0.0003 Å
• b: 12.8036 ± 0.0007 Å
• c: 14.2437 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1533.7 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No