Information card for entry 7229067

Structure parameters

• Formula: C48 H57 N11 Ni O15
• Calculated formula: C30 H15 N5 Ni O9
• Title of publication: Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions
• Authors of publication: Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 11.1115 ± 0.0007 Å
• b: 12.5077 ± 0.0008 Å
• c: 16.1965 ± 0.0004 Å
• α: 85.612 ± 0.003°
• β: 89.685 ± 0.003°
• γ: 64.385 ± 0.006°
• Cell volume: 2022.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No