Information card for entry 7117211

Structure parameters

• Chemical name: tris[4,4':2',2":4",4'"-quaterpyridine]ruthenium(II) bis(chloride) n hydrate
• Formula: C60 H42 Cl2 N12 O5 Ru
• Calculated formula: C60 H42 Cl2.0002 N12 O4.998 Ru
• Title of publication: Red-light-driven photocatalytic hydrogen evolution using a ruthenium quaterpyridine complex
• Authors of publication: E. Rousset; D. Chartrand; I. Ciofini; V. Marvaud; G. S. Hanan
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 9261
• a: 21.1118 ± 0.0003 Å
• b: 21.1118 ± 0.0003 Å
• c: 21.1118 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9409.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 213
• Hermann-Mauguin space group symbol: P 41 3 2
• Hall space group symbol: P 4bd 2ab 3
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No