Information card for entry 1551212

Structure parameters

• Formula: C40 H54 B2 Mg N4 O5
• Calculated formula: C40 H54 B2 Mg N4 O5
• SMILES: [Mg]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)N2c3c4c(NB2B2Nc5c6c(N12)cccc6ccc5)cccc4ccc3.O1CCCC1.O1CCCC1
• Title of publication: Alkaline-earth metallacyclic complexes bearing a diborane-bridged tetraamide ligand: synthesis, structure and fluorescence property.
• Authors of publication: Li, Nan; Zhao, Zifeng; Yu, Chao; Wu, Botao; Bian, Zuqiang; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9067 - 9071
• a: 11.2144 ± 0.0011 Å
• b: 29.474 ± 0.003 Å
• c: 11.6873 ± 0.0011 Å
• α: 90°
• β: 101.772 ± 0.009°
• γ: 90°
• Cell volume: 3781.8 ± 0.7 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No