Information card for entry 4339021

Structure parameters

• Formula: C32 H32 B3 K N4
• Calculated formula: C32 H32 B3 K N4
• SMILES: [K+].N1(N(B(N(B1c1ccccc1)NC)c1ccccc1)C)[B](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Revisiting the 1,2,4-triaza-3,5-diborolyl ligand: sigma and pi coordination modes in the alkali metal and rhodium complexes of a planar, 6-pi-electron B2N3- ring.
• Authors of publication: Ly, Hanh V.; Chow, Joanna H.; Parvez, Masood; McDonald, Robert; Roesler, Roland
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9303 - 9311
• a: 9.111 ± 0.004 Å
• b: 17.582 ± 0.004 Å
• c: 18.059 ± 0.006 Å
• α: 90°
• β: 91.344 ± 0.014°
• γ: 90°
• Cell volume: 2892.1 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0781
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No