Information card for entry 1560121

Structure parameters

• Formula: C13 H34 I2 N4 Zn2
• Calculated formula: C13 H34 I2 N4 Zn2
• SMILES: [Zn]1(I)(C[Zn]2(I)[N](C)(C)CC[N]2(C)C)[N](C)(C)CC[N]1(C)C
• Title of publication: Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex
• Authors of publication: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3509 - 3515
• a: 11.494 ± 0.002 Å
• b: 13.09 ± 0.002 Å
• c: 14.921 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2245 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No