Information card for entry 7001891

Structure parameters

• Formula: C30 H30 Ni S4
• Calculated formula: C30 H30 Ni S4
• SMILES: c1(c(C)cc(cc1C)C)[S]1[Ni]2([S](c3c(cc(cc3C)C)C)c3c(S2)cccc3)Sc2c1cccc2
• 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: 9.97 ± 0.17 Å
• b: 11.228 ± 0.003 Å
• c: 11.94 ± 0.003 Å
• α: 90 ± 0.09°
• β: 94.46 ± 0.03°
• γ: 90°
• Cell volume: 1333 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No