Information card for entry 1553721

Structure parameters

• Formula: C61 H62 Cl2 O12 S4 Sn
• Calculated formula: C61 H62 Cl2 O12 S4 Sn
• SMILES: [Sn]12(c3c(c(c4c5c3c3c1c(c(c1c3c3c(c(c(c(c53)s4)OCC)OCC)s1)OCC)OCC)OCC)OCC)c1c(c(c3c4c1c1c2c(c(c2c1c1c(c(c(c(c41)s3)OCC)OCC)s2)OCC)OCC)OCC)OCC.C(Cl)Cl
• Title of publication: Synthesis and properties of spiro-type heterasumanenes containing group 14 elements as bridging atoms
• Authors of publication: Furukawa, Shunsuke; Hayashi, Keisuke; Yamagishi, Ken; Saito, Masaichi
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 929
• a: 9.2728 ± 0.0007 Å
• b: 21.8232 ± 0.0016 Å
• c: 27.505 ± 0.002 Å
• α: 90°
• β: 97.123 ± 0.001°
• γ: 90°
• Cell volume: 5523 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No