Information card for entry 7046632

Structure parameters

• Formula: C64 H63 Cl P4 Ru S
• Calculated formula: C64 H63 Cl P4 Ru S
• Title of publication: Diruthenium(ii)-capped oligothienylethynyl bridged highly soluble organometallic wires exhibiting long-range electronic coupling.
• Authors of publication: Saha Roy, Sourav; Sil, Amit; Giri, Dipanjan; Roy Chowdhury, Sabyasachi; Mishra, Sabyashachi; Patra, Sanjib K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 14304 - 14317
• a: 12.6925 ± 0.0011 Å
• b: 13.3259 ± 0.0011 Å
• c: 32.834 ± 0.003 Å
• α: 90°
• β: 95.886 ± 0.005°
• γ: 90°
• Cell volume: 5524.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1741
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No