Information card for entry 4064259

Structure parameters

• Formula: C75 H77 F9 N6 O22 Ru4 S3
• Calculated formula: C75 H77 F9 N6 O22 Ru4 S3
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].[Ru]1234567([O]=C8C(O1)=[O][Ru]19%10%11%12(O8)([n]8ccc(NC(=O)c%13cc[n]([Ru]%14%15%16%17%18%19([O]=C%20C(O%14)=[O][Ru]%14%21%22%23%24(O%20)([n]%20ccc(NC(=O)c%25cc[n]2cc%25)cc%20)[c]2([cH]%14[cH]%21[c]%22([cH]%23[cH]%242)C)C(C)C)[c]2([cH]%15[cH]%16[c]%17([cH]%18[cH]%192)C)C(C)C)cc%13)cc8)[c]2([cH]%12[cH]%11[c]%10([cH]9[cH]12)C)C(C)C)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)C)C(C)C.[O-]c1cc(cc(c1)O)O
• 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: 16 ± 0.004 Å
• b: 17.277 ± 0.004 Å
• c: 18.62 ± 0.004 Å
• α: 100.894 ± 0.004°
• β: 98.465 ± 0.004°
• γ: 111.165 ± 0.004°
• Cell volume: 4581.2 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1992
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.3233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No