Information card for entry 7039865

Structure parameters

• Formula: C78.6 H70.6 F6 O2 P5 Ru S Si
• Calculated formula: C78.6 H70.6 F6 O2 P5 Ru S Si
• Title of publication: Design and synthesis of novel organometallic dyes for NiO sensitization and photo-electrochemical applications.
• Authors of publication: Massin, Julien; Lyu, Siliu; Pavone, Michele; Muñoz-García, Ana B; Kauffmann, Brice; Toupance, Thierry; Chavarot-Kerlidou, Murielle; Artero, Vincent; Olivier, Céline
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12539 - 12547
• a: 15.5292 ± 0.0003 Å
• b: 18.0323 ± 0.0005 Å
• c: 27.1454 ± 0.0019 Å
• α: 90°
• β: 92.228 ± 0.007°
• γ: 90°
• Cell volume: 7595.7 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No