Information card for entry 4321382

Structure parameters

• Formula: C16 H31 Cl3 N6 Ni2 O
• Calculated formula: C16 H31 Cl3 N6 Ni2 O
• SMILES: [Ni]1234([Cl][Ni]567(Cl)[O]1c1c(cccc1C[N]5(CC[NH2]6)CC[NH2]7)C[N]2(CC[NH2]3)CC[NH2]4)Cl
• 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: 11.142 ± 0.005 Å
• b: 10.307 ± 0.004 Å
• c: 18.692 ± 0.008 Å
• α: 90°
• β: 91.15 ± 0.03°
• γ: 90°
• Cell volume: 2146.2 ± 1.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No