Information card for entry 7702687

Structure parameters

• Formula: C25 H23 B Mn N6 O3 Tl
• Calculated formula: C25 H17 B Mn N6 O3 Tl
• Title of publication: Tl(i) complexes of cymantrene-based tris(1-pyrazolyl)borates: polymers and macrocycles
• Authors of publication: Guo, ShengLi; Bats, Jan W.; Bolte, Michael; Wagner, Matthias
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3572
• a: 15.2801 ± 0.001 Å
• b: 15.2801 ± 0.001 Å
• c: 45.333 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10584.4 ± 1.9 ų
• Cell temperature: 144 ± 2 K
• Ambient diffraction temperature: 144 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1703
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No