Information card for entry 4077018

Structure parameters

• Formula: C18 H32 Cu F6 N4 O6 S2
• Calculated formula: C18 H32 Cu F6 N4 O6 S2
• SMILES: C1CC[C@H]2[C@H]3[NH]1[Cu]1([NH]4CCC[C@H]5[C@@H]4CCC[NH]15)[NH]2CCC3.C(F)(F)(S(=O)(=O)[O-])F.C(F)(F)(S(=O)(=O)[O-])F.C1CC[C@@H]2[C@@H]3[NH]1[Cu]1([NH]4CCC[C@@H]5[C@H]4CCC[NH]15)[NH]2CCC3.C(F)(F)(S(=O)(=O)[O-])F.C(F)(F)(S(=O)(=O)[O-])F
• Title of publication: Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity
• Authors of publication: Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4513
• a: 12.6921 ± 0.0001 Å
• b: 12.6921 ± 0.0001 Å
• c: 16.0685 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2588.47 ± 0.04 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.1314
• Goodness-of-fit parameter for all reflections: 1.166
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No