Information card for entry 2016683

Structure parameters

• Chemical name: bis[tris(1,10-phenantroline)ruthenium(II)] tetraisothiocyanatoiron(II) bis(perchlorate)
• Formula: C76 H48 Cl2 Fe N16 O8 Ru2 S4
• Calculated formula: C76 H48 Cl2 Fe N16 O8 Ru2 S4
• Title of publication: A three-dimensional net of Δ-tris(1,10-phenanthroline)ruthenium(II) in the dual-metal self-assembly of bis[tris(1,10-phenanthroline)ruthenium(II)] tetraisothiocyanatoiron(II) bis(perchlorate)
• Authors of publication: Ghazzali, Mohamed; Öhrström, Lars; Lincoln, Per; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m243 - m245
• a: 13.3292 ± 0.0005 Å
• b: 13.3292 ± 0.0005 Å
• c: 41.668 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7403.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes