Information card for entry 4087264

Structure parameters

• Formula: C36 H36 Mg N2 O2
• Calculated formula: C36 H36 Mg N2 O2
• SMILES: [Mg]([O]1CCCC1)([O]1CCCC1)(N1c2ccccc2C=Cc2c1cccc2)N1c2ccccc2C=Cc2c1cccc2
• Title of publication: s-Block Metal Dibenzoazepinate Complexes: Evidence for Mg‒Alkene Encapsulation
• Authors of publication: Freitag, Benjamin; Elsen, Holger; Pahl, Jürgen; Ballmann, Gerd; Herrera, Alberto; Dorta, Romano; Harder, Sjoerd
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1860
• a: 45.3947 ± 0.0011 Å
• b: 10.3734 ± 0.0002 Å
• c: 15.2106 ± 0.0004 Å
• α: 90°
• β: 98.106 ± 0.002°
• γ: 90°
• Cell volume: 7091.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No