Information card for entry 1551211

Structure parameters

• Formula: C48 H94 B2 N16 O5 P4 Sr
• Calculated formula: C48 H94 B2 N16 O5 P4 Sr
• SMILES: N(C)(C)P(N(C)C)(N(C)C)=[O][Sr]1(N2c3c4c(cccc4ccc3)NB2B2N1c1c3c(cccc3ccc1)N2)([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.C1COCC1
• 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: 17.0218 ± 0.0005 Å
• b: 17.4203 ± 0.0006 Å
• c: 21.4191 ± 0.0007 Å
• α: 90°
• β: 100.718 ± 0.003°
• γ: 90°
• Cell volume: 6240.5 ± 0.4 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No