Information card for entry 4305177

Structure parameters

• Formula: C44 H66 N16 Ni4 O23
• Calculated formula: C44 H49 N16 Ni4 O23
• Title of publication: Synthesis and Structure of [2 x 2] Molecular Grid Copper(II) and Nickel(II) Complexes with a New Polydentate Oxime-Containing Schiff Base Ligand
• Authors of publication: Yurii S. Moroz; Kinga Kulon; Matti Haukka; Elżbieta Gumienna-Kontecka; Henryk Kozłowski; Franc Meyer; Igor O. Fritsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5656 - 5665
• a: 11.6193 ± 0.0002 Å
• b: 34.4991 ± 0.0006 Å
• c: 15.8408 ± 0.0003 Å
• α: 90°
• β: 108.252 ± 0.001°
• γ: 90°
• Cell volume: 6030.4 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No