Information card for entry 4305348

Structure parameters

• Formula: C24 H31 B N9 Tl
• Calculated formula: C24 H31 B N9 Tl
• SMILES: C(C)(C)(C)c1c(C#N)cn([BH](n2cc(c(C(C)(C)C)[n]23)C#N)n2cc(c(C(C)(C)C)[n]24)C#N)[n]1[Tl]34
• Title of publication: Cyanoscorpionates: Synthesis and Crystallographic Characterization of One-Dimensional Cu(I) Coordination Polymers
• Authors of publication: Ningfeng Zhao; John C. Bullinger; Michael J. Van Stipdonk; Charlotte L. Stern; David M. Eichhorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5945 - 5950
• a: 16.8644 ± 0.001 Å
• b: 16.8644 ± 0.001 Å
• c: 8.1583 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2009.4 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No