Information card for entry 4077019

Structure parameters

• Formula: C16 H32 B2 Cu F8 N4
• Calculated formula: C16 H32 B2 Cu F8 N4
• SMILES: [Cu]12([NH]3CCC[C@@H]4[NH]1CCC[C@H]34)[NH]1CCC[C@@H]3[NH]2CCC[C@H]13.[B](F)(F)(F)[F-].[B](F)(F)(F)[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: 14.245 ± 0.0003 Å
• b: 17.703 ± 0.0004 Å
• c: 8.4957 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2142.44 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.1127
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No