Information card for entry 4073270

Structure parameters

• Formula: C62 H50 F12 Fe O10 P2 Ru4
• Calculated formula: C62 H50 F12 Fe O10 P2 Ru4
• SMILES: C(#[O])[Ru]12345(C#[O])[P](c6cc(cc(c6)C(F)(F)F)C(F)(F)F)(c6cc(cc(c6)C(F)(F)F)C(F)(F)F)[C@H](C)[c]67[c]8([cH]9[cH]%10[cH]6[Fe]6%11%12%13789%10[cH]7[cH]%13[cH]%12[cH]%11[cH]67)c6c(cccc6)[P](c6ccccc6)(c6ccccc6)[Ru]6781(C#[O])(C#[O])([Ru]2(C#[O])(C#[O])(C#[O])([Ru]36(C#[O])(C#[O])(C#[O])[H]8)([H]5)[H]7)[H]4.CCCCCC
• Title of publication: Unprecedented Enantioselectivity in a Cluster-Based Catalytic System
• Authors of publication: Moberg, Viktor; Haukka, Matti; Koshevoy, Igor O.; Ortiz, Roberto; Nordlander, Ebbe
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4090
• a: 44.368 ± 0.009 Å
• b: 10.745 ± 0.002 Å
• c: 14.356 ± 0.003 Å
• α: 90°
• β: 103.65 ± 0.03°
• γ: 90°
• Cell volume: 6651 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No