Information card for entry 4077022

Structure parameters

• Formula: C12 H24 Cl2 Cu N2
• Calculated formula: C12 H24 Cl2 Cu N2
• SMILES: C1CC[C@@H]2[C@@H]3[N]1(CC)[Cu](Cl)(Cl)[N]2(CCC3)CC
• 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: 7.737 ± 0.002 Å
• b: 11.958 ± 0.003 Å
• c: 15.786 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1460.5 ± 0.6 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for all reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for all reflections: 0.948
• Goodness-of-fit parameter for significantly intense reflections: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No