Information card for entry 4063966

Structure parameters

• Formula: C30 H50 Co2 N2 O4
• Calculated formula: C30 H50 Co2 N2 O4
• SMILES: [Co]123456([Co]789%10([NH]1C(=O)OC(C)(C)C)([NH]2C(=O)OC(C)(C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Dinuclear Cp*Co Amido and Alkoxo Complexes: Synthesis, Structures, and Reactivity
• Authors of publication: Takemoto, Shin; Honma, Takashi; Matsuzaka, Hiroyuki
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1013
• a: 16.742 ± 0.006 Å
• b: 11.467 ± 0.003 Å
• c: 18.309 ± 0.005 Å
• α: 90°
• β: 102.033 ± 0.013°
• γ: 90°
• Cell volume: 3437.7 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No