Information card for entry 4303443

Structure parameters

• Formula: C12 H20 Cl2 Cu N4 O12
• Calculated formula: C12 H20 Cl2 Cu N4 O12
• SMILES: C1C(C)=[N]2OCC(C)=[N]3[Cu]42([N](O1)=C(CO[N]4=C(CO3)C)C)(OCl(=O)(=O)=O)OCl(=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: 6.9994 ± 0.0003 Å
• b: 8.2518 ± 0.0004 Å
• c: 9.4228 ± 0.0004 Å
• α: 89.3329 ± 0.0014°
• β: 71.5254 ± 0.0014°
• γ: 74.8919 ± 0.0015°
• Cell volume: 496.85 ± 0.04 ų
• Cell temperature: 133.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No