Information card for entry 4309792

Structure parameters

• Formula: C28 H41 B Cl2 N7 O S3 Ta
• Calculated formula: C28 H41 B Cl2 N7 O S3 Ta
• Title of publication: Niobium and Tantalum Tris(methimazolyl)borate Complexes [M(NC6H3iPr2-2,6)Cl2{HB(mt)3}] (M = Nb, Ta; mt = Methimazolyl)
• Authors of publication: Anthony F. Hill; A. David Rae; Matthew K. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7316 - 7318
• a: 18.799 ± 0.004 Å
• b: 14.606 ± 0.003 Å
• c: 12.791 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3512.1 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No