Information card for entry 7039001

Structure parameters

• Common name: complex2
• Formula: C144 H120 O12 S6 Se6 Sn6
• Calculated formula: C144 H120 O12 S6 Se6 Sn6
• SMILES: c1(ccccc1)[Sn]1(c2ccccc2)(c2ccccc2)OC(=[O][Sn](c2ccccc2)(OC(=[O][Sn](c2ccccc2)(OC(=[O][Sn](c2ccccc2)(OC(=[O][Sn](c2ccccc2)(OC(=[O][Sn](c2ccccc2)(OC(=[O]1)C[Se]c1cccs1)(c1ccccc1)c1ccccc1)C[Se]c1cccs1)(c1ccccc1)c1ccccc1)C[Se]c1cccs1)(c1ccccc1)c1ccccc1)C[Se]c1cccs1)(c1ccccc1)c1ccccc1)C[Se]c1cccs1)(c1ccccc1)c1ccccc1)C[Se]c1cccs1
• Title of publication: Syntheses, structures and anti-tumor activity of four new organotin(iv) carboxylates based on 2-thienylselenoacetic acid.
• Authors of publication: Zhang, Yuan-Yuan; Zhang, Ru-Fen; Zhang, Shao-Liang; Cheng, Shuang; Li, Qian-Li; Ma, Chun-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8412 - 8421
• a: 19.42 ± 0.007 Å
• b: 19.42 ± 0.007 Å
• c: 31.641 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10334 ± 7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No