Information card for entry 4320982

Structure parameters

• Formula: C22 H30 F12 N4 O2 P2 Ru S3
• Calculated formula: C22 H30 F12 N4 O2 P2 Ru S3
• Title of publication: Controlling Substitution Chemistry in Ruthenium(II) Systems. Synthesis of Heteroleptic Complexes Incorporating the [Ru([9]aneS3)]2+ Metal Center
• Authors of publication: Sue Roche; Harry Adams; Sharon E. Spey; James A. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2385 - 2390
• a: 23.267 ± 0.005 Å
• b: 11.5457 ± 0.0018 Å
• c: 26.192 ± 0.005 Å
• α: 90°
• β: 114.836 ± 0.01°
• γ: 90°
• Cell volume: 6385 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No