Information card for entry 4313381

Structure parameters

• Chemical name: Bis(acetonitrile) 1,8-bis(2-pyridyl)-3,6-dithiaoctane ruthenium (II) chloride
• Formula: C20 H28 Cl2 N4 O Ru S2
• Calculated formula: C20 H28 Cl2 N4 O Ru S2
• Title of publication: Synthesis and Spectroelectrochemical Studies of Mixed Heteroleptic Chelate Complexes of Ruthenium(II) with 1,8-Bis(2-pyridyl)-3,6-dithiaoctane (pdto) and Substituted 1,10-Phenanthrolines
• Authors of publication: Luis A. Ortiz-Frade; Lena Ruiz-Ramírez; Ignacio González; Armando Marín-Becerra; Manuel Alcarazo; José G. Alvarado-Rodriguez; Rafael Moreno-Esparza
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1825 - 1834
• a: 13.601 ± 0.001 Å
• b: 16.313 ± 0.001 Å
• c: 11.326 ± 0.001 Å
• α: 90°
• β: 102.16 ± 0.01°
• γ: 90°
• Cell volume: 2456.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No