Information card for entry 7109397

Structure parameters

• Formula: C18 H25 Co F6 N P
• Calculated formula: C18 H25 Co F6 N P
• SMILES: [Co]12345678([c]9([cH]1[cH]2[cH]3[cH]49)/C=C/N(C(C)C)C(C)C)[cH]1[cH]8[cH]7[cH]6[cH]51.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mild uncatalyzed hydroamination of an electrophilic alkyne, ethynylcobalticinium
• Authors of publication: Yanlan Wang; Amalia Rapakousiou; Camille Latouche; Jean-Claude Daran; Anu Singh; Isabelle Ledoux-Rak; Jaime Ruiz; Jean-Yves Saillard; Didier Astruc
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5862
• a: 27.2309 ± 0.0004 Å
• b: 11.3692 ± 0.0002 Å
• c: 13.2763 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4110.26 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No