Information card for entry 4322609

Structure parameters

• Formula: C24 H41 Br2 N3 Ni O S2
• Calculated formula: C24 H41 Br2 N3 Ni O S2
• Title of publication: Synthesis, Structures, and Electrochemical Properties of Nickel Complexes of Macrocyclic N2S2 Aminothioethers
• Authors of publication: Ghezai Musie; Joseph H. Reibenspies; Marcetta Y. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 302 - 310
• a: 18.562 ± 0.003 Å
• b: 15.14 ± 0.003 Å
• c: 9.703 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2726.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.0987
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No