Information card for entry 4063203

Structure parameters

• Chemical name: {η^4^:η^4^-[3~4~]Cyclobutadienophane}bis(η^5^- methoxycarbonylcyclopentadienyl)cobalt (2)
• Formula: C34 H38 Co2 O4
• Calculated formula: C34 H38 Co2 O4
• SMILES: [C]123=[C]45[Co]6789%102([C]21=[C]4%10CCC[C]14=[C]%10([C]%11(=[C]1(CCC5)[Co]15%12%134%10%11[c]4([cH]1[cH]5[cH]%12[cH]%134)C(=O)OC)CCC3)CCC2)[c]1([cH]6[cH]7[cH]8[cH]91)C(=O)OC
• Title of publication: Synthesis and Properties of Donor-Acceptor-Substituted Metal-Capped Fourfold-Bridged Cyclobutadienophanes
• Authors of publication: Rolf Gleiter; Rolf Roers; Jörg Classen; Albrecht Jacobi; Gottfried Huttner; Thomas Oeser
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Pages of publication: 147 - 151
• a: 9.595 ± 0.002 Å
• b: 13.832 ± 0.004 Å
• c: 10.998 ± 0.004 Å
• α: 90°
• β: 107.96 ± 0.02°
• γ: 90°
• Cell volume: 1388.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No