Information card for entry 4313379

Structure parameters

• Chemical name: 1,10-phenanthroline, 1,8-bis(2-pyridyl)-3,6-dithioctane ruthenium (II) dichloride trihemihydrated
• Formula: C28 H28 Cl2 N4 O3.5 Ru S2
• Calculated formula: C28 H28 Cl2 N4 O3.5 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: 22.689 ± 0.011 Å
• b: 11.922 ± 0.001 Å
• c: 25.835 ± 0.002 Å
• α: 90°
• β: 109.06 ± 0.01°
• γ: 90°
• Cell volume: 6605 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No