Information card for entry 1566534

Structure parameters

• Formula: C81 H112 Ga2 N8 Sb2
• Calculated formula: C81 H112 Ga2 N8 Sb2
• SMILES: [Sb]1([Sb](N1c1ccccc1)N([Ga]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N(C)C)c1ccccc1)[Ga]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N(C)C.c1(ccccc1)C
• Title of publication: Synthesis of Distibiranes and Azadistibiranes by Cycloaddition Reactions of Distibenes with Diazomethanes and Azides
• Authors of publication: Weinert, Hanns Micha; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 11.6222 ± 0.0009 Å
• b: 17.8727 ± 0.0014 Å
• c: 19.5796 ± 0.0016 Å
• α: 108.099 ± 0.004°
• β: 90.076 ± 0.004°
• γ: 93.817 ± 0.004°
• Cell volume: 3856.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No