Information card for entry 4071156

Structure parameters

• Formula: C32 H41 Br N2 Ni O3 S
• Calculated formula: C32 H41 Br N2 Ni O3 S
• SMILES: [Ni]12(Br)([N](c3c(cccc3C(C)C)C(C)C)=Cc3ccccc3[N]1=S(O2)(=O)c1c(cc(cc1C)C)C)[O]1CCCC1
• Title of publication: Synthesis, Structures, and Reactivity of Nickel Complexes Incorporating Sulfonamido-Imine Ligands
• Authors of publication: Li, Jianfeng; Tian, Dawei; Song, Haibin; Wang, Chunhua; Zhu, Xiaoqing; Cui, Chunming; Cheng, Jin-Pei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1605
• a: 8.277 ± 0.004 Å
• b: 9.648 ± 0.005 Å
• c: 20.574 ± 0.011 Å
• α: 77.699 ± 0.011°
• β: 81.838 ± 0.018°
• γ: 77.803 ± 0.015°
• Cell volume: 1560.9 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No