Information card for entry 1551213

Structure parameters

• Formula: C56 H120 B2 N22 O6 P6 Sr2
• Calculated formula: C56 H120 B2 N22 O6 P6 Sr2
• SMILES: B12N3c4cccc5cccc(N2[Sr](N2B1N(c1cccc6c1c2ccc6)[Sr]3([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C)c45
• 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: 14.3034 ± 0.0002 Å
• b: 23.7498 ± 0.0004 Å
• c: 23.2747 ± 0.0004 Å
• α: 90°
• β: 99.702 ± 0.002°
• γ: 90°
• Cell volume: 7793.4 ± 0.2 ų
• Cell temperature: 99.8 ± 0.5 K
• Ambient diffraction temperature: 99.8 ± 0.5 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: 0.0827
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No