Information card for entry 4320943

Structure parameters

• Formula: C17 H38 Cl3 N5 Ni2 O2
• Calculated formula: C16.5 H27 Cl3 N5 Ni2 O4
• Title of publication: Polyamine Macrocycles Incorporating a Phenolic Function: Their Synthesis, Basicity, and Coordination Behavior toward Metal Cations. Crystal Structure of a Binuclear Nickel Complex
• Authors of publication: Paolo Dapporto; Mauro Formica; Vieri Fusi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Paolo Romani; Patrizia Rossi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2156 - 2163
• a: 14.821 ± 0.005 Å
• b: 10.27 ± 0.004 Å
• c: 17.663 ± 0.006 Å
• α: 90°
• β: 108.87 ± 0.03°
• γ: 90°
• Cell volume: 2544 ± 1.6 ų
• Cell temperature: 293 ± 2 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: 0.2031
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections: 0.2794
• Weighted residual factors for significantly intense reflections: 0.2136
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.193
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No