Information card for entry 7039473

Structure parameters

• Formula: C40 H56 N6 O5 Zr2
• Calculated formula: C40 H56 N6 O5 Zr2
• SMILES: [Zr]123([n]4c(C=[N]1N([Zr]1([n]5c(C=[N]1N2c1ccccc1)cccc5)(OC(C)(C)C)(OC(C)(C)C)O3)c1ccccc1)cccc4)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane.
• Authors of publication: Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11061 - 11070
• a: 10.7341 ± 0.0012 Å
• b: 17.247 ± 0.0018 Å
• c: 25.237 ± 0.003 Å
• α: 90°
• β: 101.824 ± 0.002°
• γ: 90°
• Cell volume: 4573 ± 0.9 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No