Information card for entry 4088469

Structure parameters

• Formula: C46 H44 N10 Zn2
• Calculated formula: C46 H44 N10 Zn2
• SMILES: C1(C)=[N](c2ccccc2)[Zn]2(N(C(=C1)C)c1ccccc1)N(N=[N]1[N]2=NN(c2ccccc2)[Zn]21[N](=C(C=C(C)N2c1ccccc1)C)c1ccccc1)c1ccccc1
• 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: 8.9002 ± 0.0004 Å
• b: 10.8554 ± 0.0006 Å
• c: 11.3702 ± 0.0006 Å
• α: 101.272 ± 0.003°
• β: 105.138 ± 0.002°
• γ: 95.015 ± 0.002°
• Cell volume: 1028.78 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No