Information card for entry 4064263

Structure parameters

• Formula: C50 H48 F6 O10 P2 Ru2 S2
• Calculated formula: C50 H48 F6 O10 P2 Ru2 S2
• SMILES: FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].[Ru]1234567([P](c8ccccc8)(c8ccccc8)C=C[P]([Ru]89%10%11%12%13([O]=C(C(O8)=[O]2)O1)[c]1([cH]%11[cH]%10[c]9(C)[cH]%12[cH]%131)C(C)C)(c1ccccc1)c1ccccc1)[c]1(C(C)C)[cH]4[cH]3[c]6([cH]7[cH]51)C
• Title of publication: Constructions of 2D-Metallamacrocycles Using Half-Sandwich RuII2Precursors: Synthesis, Molecular Structures, and Self-Selection for a Single Linkage Isomer
• Authors of publication: Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Joshi, Sachin A.; Patil, Yogesh P.; Mukherjee, Partha Sarathi
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1951
• a: 17.0531 ± 0.0006 Å
• b: 19.1709 ± 0.0007 Å
• c: 18.1415 ± 0.0007 Å
• α: 90°
• β: 117.546 ± 0.001°
• γ: 90°
• Cell volume: 5258.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No