Information card for entry 7001889

Structure parameters

• Formula: C36 H46 S10
• Calculated formula: C36 H46 S10
• SMILES: S(c1c(cc(cc1C(C)C)C(C)C)C(C)C)C1SC(=S)SC=1SSC1SC(=S)SC=1Sc1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: S,C- and S,S-coupling via dithiolate transfer reactions from tin to nickel complexes
• Authors of publication: Cerrada, Elena; Moreno, Ana; Laguna, Mariano
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 34
• Pages of publication: 6825 - 6835
• a: 12.147 ± 0.002 Å
• b: 12.389 ± 0.003 Å
• c: 15 ± 0.003 Å
• α: 74.124 ± 0.004°
• β: 75.996 ± 0.004°
• γ: 70.253 ± 0.004°
• Cell volume: 2015.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No