Information card for entry 7703858

Structure parameters

• Formula: C30 H41 Br Co N2 P2
• Calculated formula: C30 H41 Br Co N2 P2
• SMILES: [Co]1(Br)([P](C)(C)C)([P](C)(C)C)c2c(C=[N]1c1c(C)cccc1C)cccc2/C=N/c1c(C)cccc1C
• Title of publication: Bis(imino)aryl NCN pincer cobalt complexes: synthesis and disproportionation.
• Authors of publication: Huang, Li-Cheng; Zhang, Jing-Shun; Jia, Teng; Mu, Ying; Gao, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5219 - 5227
• a: 16.5905 ± 0.0007 Å
• b: 23.4842 ± 0.001 Å
• c: 15.8812 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6187.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No