Information card for entry 4088468

Structure parameters

• Formula: C24 H38 Al2 N6 O2
• Calculated formula: C24 H38 Al2 N6 O2
• SMILES: c1(ccccc1)N1N=[N]2[N]([Al]1([O]1CCCC1)(C)C)=NN(c1ccccc1)[Al]2([O]1CCCC1)(C)C
• Title of publication: (MeZn)2(μ-η2:η2-N6Ph2): A Powerful Starting Reagent for the Synthesis of Metal Hexazene Complexes
• Authors of publication: Stienen, Christian; Gondzik, Sebastian; Gehlhaar, Alexander; Haack, Rebekka; Wölper, Christoph; Jansen, Georg; Schulz, Stephan
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 1022
• a: 7.6535 ± 0.0013 Å
• b: 9.2634 ± 0.0016 Å
• c: 10.463 ± 0.002 Å
• α: 113.086 ± 0.009°
• β: 91.855 ± 0.009°
• γ: 105.457 ± 0.009°
• Cell volume: 649.8 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0645
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No