Information card for entry 7131395

Structure parameters

• Formula: C79 H140 Bi10 Ga K3 N6 Nb2 O18
• Calculated formula: C75.5 H136 Bi10 Ga K3 N6 Nb2 O18
• Title of publication: [Ga@Bi₁₀(NbMes)₂]^3-: a linear Nb-Ga^I-Nb filament coordinated by a bismuth cage.
• Authors of publication: Qiao, Lei; Yang, Tao; Frenking, Gernot; Sun, Zhong-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 27
• Pages of publication: 4024 - 4027
• a: 13.0159 ± 0.0003 Å
• b: 15.5134 ± 0.0004 Å
• c: 27.2898 ± 0.0008 Å
• α: 89.942 ± 0.002°
• β: 86.298 ± 0.002°
• γ: 76.288 ± 0.002°
• Cell volume: 5341.6 ± 0.2 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No