Information card for entry 2022598

Structure parameters

• Chemical name: <i>cis</i>-Aqua[2,6-bis(1,8-naphthyridin-2-yl)pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)ruthenium(II) hexafluoridophosphate–acetone–water (1/0.5/1)
• Formula: C41.5 H35 F6 N6 O2.5 P2 Ru S
• Calculated formula: C41.5 H31 F6 N6 O2.5 P2 Ru S
• Title of publication: Isolation and structural comparison of RuII-dnp complexes [dnp = 2,6-bis(1,8-naphthyridin-2-yl)pyridine] with axially or equatorially coordinating NCS ligands
• Authors of publication: Takase, Tsugiko; Yamanaka, Takashi; Tamura, Chihiro; Oyama, Dai
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 6
• a: 9.3699 ± 0.0002 Å
• b: 15.3897 ± 0.0004 Å
• c: 16.0267 ± 0.0004 Å
• α: 92.6869 ± 0.0009°
• β: 105.154 ± 0.0008°
• γ: 100.015 ± 0.0007°
• Cell volume: 2186.3 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes