Information card for entry 4328049

Structure parameters

• Formula: C40 H32 Bi2 N26
• Calculated formula: C40 H32 Bi2 N26
• SMILES: [Bi]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]12)(N=N#N)(N=N#N)[N](=N#N)[Bi]12([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]12)(N=N#N)(N=N#N)[N]3=N#N
• Title of publication: Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons
• Authors of publication: Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1127 - 1141
• a: 8.9891 ± 0.0005 Å
• b: 22.1991 ± 0.0012 Å
• c: 10.9374 ± 0.0006 Å
• α: 90°
• β: 103.604 ± 0.001°
• γ: 90°
• Cell volume: 2121.3 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No