Information card for entry 1571312

Structure parameters

• Chemical name: Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate
• Formula: C50 H56 F12 N10 O3 P2 Ru
• Calculated formula: C50 H56 F12 N10 O3 P2 Ru
• SMILES: [Ru]1234([n]5c6ccccc6[nH]c5c5[n]1c(ccc5)c1[n]2c2c([nH]1)cccc2)[n]1c2ccccc2[nH]c1c1[n]3c(ccc1)c1[n]4c2c([nH]1)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.O(CC)CC.O(CC)CC
• Title of publication: Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate
• Authors of publication: Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 3
• Pages of publication: x240269
• a: 26.718 ± 0.004 Å
• b: 9.8834 ± 0.0013 Å
• c: 20.648 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5452.4 ± 1.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No