Information card for entry 7032971

Structure parameters

• Formula: C120 H132 N8 O10 Sn4
• Calculated formula: C120 H132 N8 O10 Sn4
• SMILES: c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)/C=C(C#N)/C(=O)O[Sn]1([O]2[Sn]([O]3[Sn]2(OC(=[O][Sn]3(OC(=O)C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)\C#N)(CCCC)CCCC)/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C#N)(CCCC)CCCC)(OC(=[O]1)C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)\C#N)(CCCC)CCCC)(CCCC)CCCC
• Title of publication: Synthesis, crystal structures and two-photon absorption properties of triphenylamine cyanoacetic acid derivative and its organooxotin complexes.
• Authors of publication: Zhao, Xuesong; Liu, Jie; Wang, Hui; Zou, Yan; Li, Shengli; Zhang, Shengyi; Zhou, Hongping; Wu, Jieying; Tian, Yupeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 701 - 709
• a: 10.7 ± 0.005 Å
• b: 22.813 ± 0.005 Å
• c: 24.357 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.046 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 5887 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1359
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No