Information card for entry 7000130

Structure parameters

• Common name: (Ru3(CCPhOCH3)2)(BF4)
• Formula: C62 H58 B Cl8 F4 N12 O4 Ru3
• Calculated formula: C62 H58 B Cl8 F4 N12 O4 Ru3
• SMILES: [B](F)(F)(F)[F-].c12[n]([Ru]345([n]6ccccc6N6[Ru]7893N1c1cccc[n]1[Ru]9([n]1ccccc1N8c1cccc[n]51)([n]1ccccc1N7c1[n]4cccc1)([n]1ccccc61)C#Cc1ccc(OC)cc1)C#Cc1ccc(OC)cc1)cccc2.O.C(Cl)Cl.C(Cl)Cl.O.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis, structures, magnetism and electrochemical properties of triruthenium-acetylide complexes.
• Authors of publication: Kuo, Ching-Kuo; Chang, Jung-Che; Yeh, Chen-Yu; Lee, Gene-Hsiang; Wang, Chih-Chieh; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 22
• Pages of publication: 3696 - 3701
• a: 24.3107 ± 0.0005 Å
• b: 24.5552 ± 0.0005 Å
• c: 23.52 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14040.4 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No