Information card for entry 4063965

Structure parameters

• Formula: C34 H46 Co2 N2
• Calculated formula: C34 H46 Co2 N2
• SMILES: [Co]123456([Co]789%10([NH]1c1ccc(cc1)C)([NH]2c1ccc(cc1)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: 9.358 ± 0.003 Å
• b: 33.108 ± 0.009 Å
• c: 10.463 ± 0.004 Å
• α: 90°
• β: 108.229 ± 0.014°
• γ: 90°
• Cell volume: 3079 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No