Information card for entry 7240801

Structure parameters

• Formula: C16 H14 N4 Ni O6
• Calculated formula: C16 H14 N4 Ni O6
• Title of publication: 2D-Coordination Polymers based on 1H-Indazole-4-carboxylic acid and Transition Metal ions: Magnetic, Luminescent and Biological Properties
• Authors of publication: García-Valdivia, Antonio A.; Zabala-Lekuona, Andoni; Ramírez-Rodríguez, Gloria Belén; Delgado-López, José Manuel; Fernandez, Belen; Cepeda, Javier; Rodríguez Diéguez, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 5.305 ± 0.0003 Å
• b: 9.988 ± 0.0004 Å
• c: 15.082 ± 0.0007 Å
• α: 90°
• β: 97.362 ± 0.002°
• γ: 90°
• Cell volume: 792.55 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0254
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No