Information card for entry 4307004

Structure parameters

• Formula: C44 H47 F12 N6.5 O3 P2 Ru S3
• Calculated formula: C44 H38 F12 N6.5 O2.75 P2 Ru S3
• Title of publication: Synthesis, Structure, Photophysics, Electrochemistry, and Ion-Binding Studies of Ruthenium(II) 1,10-Phenanthroline Complexes Containing Thia-, Selena-, and Aza-Crown Pendants
• Authors of publication: Mei-Jin Li; Ben Wai-Kin Chu; Nianyong Zhu; Vivian Wing-Wah Yam
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 720 - 733
• a: 9.257 ± 0.002 Å
• b: 13.092 ± 0.003 Å
• c: 22.265 ± 0.005 Å
• α: 90.74 ± 0.03°
• β: 98.33 ± 0.03°
• γ: 101.94 ± 0.03°
• Cell volume: 2609.6 ± 1.1 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No