Information card for entry 2020494

Structure parameters

• Chemical name: Bis(μ-4,4'-oxydibenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'';κ^3^<i>O</i>'':<i>O</i>,<i>O</i>'-bis[(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cobalt(II)]
• Formula: C70 H46 Co2 N6 O10
• Calculated formula: C70 H46 Co2 N6 O10
• SMILES: c12cc(cc3[n]1[Co]1([n]4ccccc24)([n]2c3cccc2)OC(=O)c2ccc(cc2)Oc2ccc(cc2)C(=O)O[Co]23([n]4ccccc4c4cc(cc([n]24)c2[n]3cccc2)c2ccccc2)OC(=O)c2ccc(Oc3ccc(cc3)C(=O)O1)cc2)c1ccccc1
• Title of publication: Enhanced third-order nonlinear optical properties determined in thin films using the Z-scan technique: bis(μ-4,4'-oxydibenzoato)bis[(4'-phenyl-2,2':6',2''-terpyridine)cobalt(II)]
• Authors of publication: Liu, Runqiang; Zhao, Ning; Liu, Ping; An, Caixia; Lian, Zhaoxun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 451 - 455
• a: 9.71 ± 0.009 Å
• b: 10.891 ± 0.012 Å
• c: 15.546 ± 0.016 Å
• α: 77.129 ± 0.015°
• β: 74.474 ± 0.015°
• γ: 65.034 ± 0.015°
• Cell volume: 1425 ± 3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes