Information card for entry 4322747

Structure parameters

• Formula: C20 H27 B N7 O6 S Tc
• Calculated formula: C20 H27 B N7 O6 S Tc
• Title of publication: Linkage Isomerization of MSCN(CDOH)2(CDO)BMe to MNCS(CDOH)2(CDO)BMe (M = Tc, Re). Crystal Structures of TcNCS(CDOH)2(CDO)BMe, ReNCS(CDOH)2(CDO)BMe, and ReSCN(CDOH)2(CDO)BMe
• Authors of publication: S. Jurisson; M.M. Halihan; J.D. Lydon; C.L. Barnes; D.P. Nowotnik; A.D. Nunn
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1922 - 1928
• a: 15.814 ± 0.002 Å
• b: 17.855 ± 0.003 Å
• c: 17.997 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5081.6 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No