Information card for entry 2237436

Structure parameters

• Chemical name: μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2':6',2''- terpyridine)ruthenium(II)] tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate
• Formula: C62 H50 F24 N16 P4 Ru2
• Calculated formula: C62 H50 F24 N16 P4 Ru2
• Title of publication: μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2':6',2''-terpyridine)ruthenium(II)] tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate
• Authors of publication: Jude, Hershel; Scott, Brian L.; Rocha, Reginaldo C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m81 - m82
• a: 11.8871 ± 0.0009 Å
• b: 31.824 ± 0.002 Å
• c: 18.5168 ± 0.0014 Å
• α: 90°
• β: 95.88 ± 0.001°
• γ: 90°
• Cell volume: 6968 ± 0.9 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes