Information card for entry 4064261

Structure parameters

• Formula: C88 H80 F12 N4 O20 Ru4 S4
• Calculated formula: C88 H80 F12 N4 O20 Ru4 S4
• 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: 16.364 ± 0.013 Å
• b: 17.356 ± 0.015 Å
• c: 18.862 ± 0.015 Å
• α: 77.887 ± 0.014°
• β: 75.908 ± 0.013°
• γ: 86.388 ± 0.013°
• Cell volume: 5080 ± 7 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: 0.3774
• Residual factor for significantly intense reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.3119
• Weighted residual factors for all reflections included in the refinement: 0.4473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No