Information card for entry 7704856

Structure parameters

• Formula: C26 H45 B0 Co2 F6 N2 P S2
• Calculated formula: C26 H45 Co2 F6 N2 P S2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Co]123456([NH]=C(N[Co]789%10([c]%11([c]7([c]8([c]9([c]%10%11C)C)C)C)C)([S]5CC)[S]6CC)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Facile C-N coupling of coordinated ammonia and labile carbonyl or acetonitrile promoted by a thiolate-bridged dicobalt reaction scaffold.
• Authors of publication: Li, Jianzhe; Yang, Dawei; Tong, Peng; Wang, Baomin; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11260 - 11267
• a: 8.565 ± 0.002 Å
• b: 28.994 ± 0.007 Å
• c: 12.607 ± 0.003 Å
• α: 90°
• β: 92.037 ± 0.005°
• γ: 90°
• Cell volume: 3128.8 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No