Information card for entry 4303444

Structure parameters

• Formula: C16 H26 Cl2 N6 Ni O12
• Calculated formula: C16 H26 Cl2 N6 Ni O12
• SMILES: [Ni]123([N]4OCC(=[N]1OCC(=[N]2OCC(=[N]3OCC=4C)C)C)C)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: One-Pot, Template Syntheses of a New Class of Metallomacrocycles with a Tetraoxime Cyclic Skeleton
• Authors of publication: Shohei Tashiro; Ai Minoda; Mihoko Yamada; Mitsuhiko Shionoya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10093 - 10101
• a: 7.7332 ± 0.0003 Å
• b: 9.6883 ± 0.0005 Å
• c: 17.3374 ± 0.0008 Å
• α: 90°
• β: 103.765 ± 0.0017°
• γ: 90°
• Cell volume: 1261.64 ± 0.1 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No