Information card for entry 7021970

Structure parameters

• Formula: C96 H94 P4 Ru2 S2
• Calculated formula: C96 H94 P4 Ru2 S2
• Title of publication: Dithia[3.3]paracyclophane-bridged bimetallic ruthenium acetylide complexes: synthesis, structures and influence of transannular π-π interactions on their electronic properties.
• Authors of publication: Xia, Jianlong; Ou, Ya-Ping; Wu, Di; Jin, Guo-Jun; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14212 - 14222
• a: 11.273 ± 0.003 Å
• b: 18.957 ± 0.006 Å
• c: 19.482 ± 0.006 Å
• α: 91.609 ± 0.006°
• β: 102.283 ± 0.006°
• γ: 94.418 ± 0.007°
• Cell volume: 4052 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1713
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No