Information card for entry 4080145

Structure parameters

• Formula: C40 H52 F6 N4 O10 Ru2 S2
• Calculated formula: C40 H52 F6 N4 O10 Ru2 S2
• SMILES: [Ru]123456(n7c8c([n]9[Ru]%10%11%12%13%14(n%15c%16c([n]1c%15c79)cccc%16)([cH]1[cH]%13[c]%11([cH]%12[cH]%10[c]%141C(C)C)C)[OH]C)cccc8)([cH]1[c]6([cH]2[cH]4[c]3([cH]51)C)C(C)C)[OH]C.OC.OC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Growth Inhibitory Activity of a Bis-Benzimidazole-Bridged Arene Ruthenium Metalla-Rectangle and -Prism
• Authors of publication: Vajpayee, Vaishali; Lee, Sun mi; Park, Joeng Woo; Dubey, Abhishek; Kim, Hyunuk; Cook, Timothy R.; Stang, Peter J.; Chi, Ki-Whan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1563 - 1566
• a: 15.657 ± 0.003 Å
• b: 16.6 ± 0.003 Å
• c: 19.979 ± 0.004 Å
• α: 95.93 ± 0.03°
• β: 109.49 ± 0.03°
• γ: 102.26 ± 0.03°
• Cell volume: 4697 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.3084
• Weighted residual factors for all reflections included in the refinement: 0.3228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No