Information card for entry 7043045

Structure parameters

• Common name: Cu(14-TMC)(NO3)2
• Formula: C14 H32 Cu N6 O6
• Calculated formula: C14 H32 Cu N6 O6
• SMILES: C[N]12CC[N]3(C)[Cu]41[N](CCC2)(CC[N]4(CCC3)C)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Stereochemistry of metal tetramethylcyclam complexes directed by an unexpected anion effect
• Authors of publication: Derrick, Jeffrey Scott; Kim, Yujeong; Tak, Hyeonwoo; Park, Kiyoung; Cho, Jaeheung; Kim, Sun Hee; Lim, Mi Hee
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.9917 ± 0.0004 Å
• b: 15.0923 ± 0.0008 Å
• c: 8.3426 ± 0.0005 Å
• α: 90°
• β: 106.381 ± 0.002°
• γ: 90°
• Cell volume: 965.38 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No