Information card for entry 4321381

Structure parameters

• Formula: C16 H34 Cl2 Cu2 N6 O11
• Calculated formula: C16 H31 Cl2 Cu2 N6 O11
• SMILES: [Cu]1234[O]5[Cu]67(O1)[N](Cc1c5c(ccc1)C[N]2(CC[NH2]3)CC[NH2]4)(CC[NH2]6)CC[NH2]7.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Synthesis of a Flexible Ligand for Assembling Two Metal Ions in Close Proximity. Crystal Structures of Binuclear Nickel and Copper Complexes
• Authors of publication: Paolo Dapporto; Mauro Formica; Vieri Fusi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4663 - 4665
• a: 14.368 ± 0.001 Å
• b: 14.099 ± 0.001 Å
• c: 26.116 ± 0.003 Å
• α: 90°
• β: 97.009 ± 0.008°
• γ: 90°
• Cell volume: 5250.9 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No