Information card for entry 7033673

Structure parameters

• Formula: C26 H32 Br Mg N2 O2 P
• Calculated formula: C26 H32 Br Mg N2 O2 P
• SMILES: Br[Mg]1([N](c2ccccc2)=P(N1c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Reactivity of bis(organoamino)phosphanes with magnesium(ii) compounds.
• Authors of publication: Vrána, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; De Proft, Frank; Lyčka, Antonín; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4533 - 4545
• a: 11.041 ± 0.0007 Å
• b: 23.3141 ± 0.0016 Å
• c: 11.5729 ± 0.0014 Å
• α: 90°
• β: 119.76 ± 0.005°
• γ: 90°
• Cell volume: 2586.1 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No