Information card for entry 7027633

Structure parameters

• Formula: C14 H32 Cu N10
• Calculated formula: C14 H32 Cu N10
• SMILES: C1[NH]2[C@H](CC[N]3([Cu]42([N](C1)(CC[C@@H](C)[NH]4CC3)C)(N=N#N)N=N#N)C)C
• Title of publication: Copper(II) complexes of C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane: syntheses, structures and properties †>
• Authors of publication: Lu, Tian-Huey; Lin, Shih-Chi; Aneetha, Halikhedkar; Panneerselvam, Kaliyamoorthy; Chung, Chung-Sun
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3385
• a: 7.3939 ± 0.0001 Å
• b: 16.1227 ± 0.0003 Å
• c: 8.5698 ± 0.0002 Å
• α: 90°
• β: 114.381 ± 0.001°
• γ: 90°
• Cell volume: 930.5 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No