Information card for entry 7243131

Structure parameters

• Formula: C14.5 H11.5 N1.5 Ni0.75 O6.62
• Calculated formula: C14.5 H11.5 N1.5 Ni0.75 O6.625
• Title of publication: Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids
• Authors of publication: Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 32
• Pages of publication: 5489 - 5497
• a: 11.3588 ± 0.0007 Å
• b: 30.0187 ± 0.001 Å
• c: 12.2991 ± 0.0008 Å
• α: 90°
• β: 117.471 ± 0.008°
• γ: 90°
• Cell volume: 3720.8 ± 0.4 ų
• Cell temperature: 297.1 ± 0.8 K
• Ambient diffraction temperature: 297.1 ± 0.8 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No