Information card for entry 1561622

Structure parameters

• Formula: C40 H22 N8 O4 Sr
• Calculated formula: C40 H22 N8 O4 Sr
• SMILES: c1nc3c(c4c(c5c3nccc5)[nH]c(n4)c2ccc(cc2)C(=O)[O-])cc1.[Sr+2].c1ccc2c(c3c(cccn3)c3[nH]c(nc23)c2ccc(cc2)C(=O)[O-])n1
• Title of publication: Honeycomb-shaped coordination polymers based on the self-assembly of long flexible ligands and alkaline-earth ions
• Authors of publication: Lian, Chen; Liu, Liu; Guo, Xu; Long, Yinshuang; Jia, Shanshan; Li, Huanhuan; Yang, Lirong
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 233
• Pages of publication: 229 - 235
• a: 18.0519 ± 0.0011 Å
• b: 11.7574 ± 0.0007 Å
• c: 15.2235 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3231.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No