Information card for entry 4064728

Structure parameters

• Formula: C73 H79 F12 N9 O26 Ru4 S4
• Calculated formula: C73 H79 F12 N9 O26 Ru4 S4
• SMILES: [Ru]1234567([O]=C8C(=[O][Ru]9%10%11%12%13(O8)([n]8cc(ccc8)NC(=O)C(=O)Nc8ccc[n]([Ru]%14%15%16%17%18%19([O]=C%20C(O%14)=[O][Ru]%14%21%22%23%24(O%20)([n]%20cccc(c%20)NC(=O)C(=O)Nc%20c[n]2ccc%20)[cH]2[cH]%14[c]%24([cH]%21[cH]%22[c]%232C)C(C)C)[c]2([cH]%19[cH]%18[c]%17([cH]%16[cH]%152)C)C(C)C)c8)[c]2([cH]9[cH]%10[c]%11([cH]%12[cH]%132)C)C(C)C)O1)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O=N(=O)C
• Title of publication: Coordination Driven Self-Assembly and Anticancer Activity of Molecular Rectangles Containing Octahedral Ruthenium Metal Centers.
• Authors of publication: Vajpayee, Vaishali; Song, Young Ho; Yang, Yoon Jung; Kang, Se Chan; Kim, Hyunuk; Kim, In Su; Wang, Ming; Stang, Peter J.; Chi, Ki-Whan
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3242 - 3245
• a: 11.336 ± 0.002 Å
• b: 17.65 ± 0.004 Å
• c: 24.465 ± 0.005 Å
• α: 81.32 ± 0.03°
• β: 83.65 ± 0.03°
• γ: 76.4 ± 0.03°
• Cell volume: 4688.8 ± 1.8 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: 0.0994
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No