Information card for entry 4307005

Structure parameters

• Formula: C44 H49 Cl2 N7 O14 Ru S2
• Calculated formula: C44 H42 Cl2 N7 O14 Ru S2
• 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: 12.101 ± 0.002 Å
• b: 12.517 ± 0.002 Å
• c: 18.818 ± 0.004 Å
• α: 91.05 ± 0.03°
• β: 103.92 ± 0.03°
• γ: 114.18 ± 0.03°
• Cell volume: 2501.8 ± 1.1 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No