Information card for entry 4322746

Structure parameters

• Formula: C21 H26 B Cl2 N7 O8 Re S
• Calculated formula: C21 H26 B Cl2 N7 O8 Re S
• 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: 10.0866 ± 0.0006 Å
• b: 26.301 ± 0.002 Å
• c: 12.4592 ± 0.0007 Å
• α: 90°
• β: 100.464 ± 0.001°
• γ: 90°
• Cell volume: 3250.3 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• 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: 0.1
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for all reflections: 0.141
• Weighted residual factors for significantly intense reflections: 0.141
• Goodness-of-fit parameter for significantly intense reflections: 2.41
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No