Information card for entry 4305783

Structure parameters

• Formula: C20 H28 F12 N4 O2 P2 Ru S4
• Calculated formula: C20 H28 F12 N4 O2 P2 Ru S4
• Title of publication: Self-Assembly of Electroactive Thiacrown Ruthenium(II) Complexes into Hydrogen-Bonded Chain and Tape Networks
• Authors of publication: Naz Shan; Samuel M. Hawxwell; Harry Adams; Lee Brammer; Jim A. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11551 - 11560
• a: 15.641 ± 0.003 Å
• b: 9.623 ± 0.0016 Å
• c: 21.087 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3173.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No