Information card for entry 4070977

Structure parameters

• Formula: C78 H81 Cl4 F6 N4 O6 P Ru2
• Calculated formula: C78 H81 Cl4 F6 N4 O6 P Ru2
• SMILES: c12ccccc1C=[N]1[C@@H]3CCCC[C@H]3[N]3=Cc4ccccc4[O]([Ru]413(=C(C=C(c1ccccc1)c1ccccc1)OCCC)[OH]2)[Ru]123(=C(C=C(c5ccccc5)c5ccccc5)OCCC)Oc5c(cccc5)C=[N]3[C@H]3[C@@H](CCCC3)[N]1=Cc1c(cccc1)[O]24.C(Cl)Cl.C(Cl)Cl.[F-][P](F)(F)(F)(F)F.c12ccccc1C=[N]1[C@H]3CCCC[C@@H]3[N]3=Cc4ccccc4[O]([Ru]413(=C(C=C(c1ccccc1)c1ccccc1)OCCC)[OH]2)[Ru]123(=C(C=C(c5ccccc5)c5ccccc5)OCCC)Oc5c(cccc5)C=[N]3[C@@H]3[C@H](CCCC3)[N]1=Cc1c(cccc1)[O]24.C(Cl)Cl.C(Cl)Cl.[F-][P](F)(F)(F)(F)F
• Title of publication: Proton-Bridged Dinuclear (salen)Ru Carbene Complexes: Synthesis, Structure, and Reactivity of {[(salchda)RuC(OR)(CHCPh2)]2·H}+
• Authors of publication: Wong, Chun-Yuen; Man, Wai-Lun; Wang, Chao; Kwong, Hoi-Lun; Wong, Wai-Yeung; Lau, Tai-Chu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 324
• a: 11.9566 ± 0.0008 Å
• b: 28.5888 ± 0.0018 Å
• c: 22.6159 ± 0.0014 Å
• α: 90°
• β: 98.271 ± 0.001°
• γ: 90°
• Cell volume: 7650.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No