Information card for entry 4071158

Structure parameters

• Formula: C76 H106 N4 Ni O10 S2
• Calculated formula: C76 H58 N4 Ni O10 S2
• 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: 12.732 ± 0.0007 Å
• b: 15.4904 ± 0.0006 Å
• c: 36.9865 ± 0.0018 Å
• α: 90°
• β: 98.778 ± 0.002°
• γ: 90°
• Cell volume: 7209.2 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No