Information card for entry 4071155

Structure parameters

• Formula: C46 H48 N2 Ni O2 P S
• Calculated formula: C46 H48 N2 Ni O2 P S
• SMILES: [Ni]1(N(S(=O)(=O)c2c(cc(cc2C)C)C)c2c(C=[N]1c1c(cccc1C(C)C)C(C)C)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.381 ± 0.006 Å
• b: 10.605 ± 0.007 Å
• c: 19.553 ± 0.012 Å
• α: 76.759 ± 0.011°
• β: 88.739 ± 0.01°
• γ: 83.266 ± 0.01°
• Cell volume: 1880 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1271
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No