Information card for entry 7243132

Structure parameters

• Formula: C46 H38 N6 Ni2 O18
• Calculated formula: C45.9998 H38 N6 Ni2 O18
• 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: 20.5127 ± 0.0006 Å
• b: 16.0761 ± 0.0005 Å
• c: 15.2569 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5031.2 ± 0.3 ų
• Cell temperature: 298 ± 0.1 K
• Ambient diffraction temperature: 298 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No