Information card for entry 2016710

Structure parameters

• Chemical name: Tetrakis(μ-anthracene-9-carboxylato)- κ^4^<i>O</i>:<i>O</i>';κ^3^O,O':O';κ^3^O:O,O'- bis[(anthracene-9-carboxylato-κ^2^O,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')erbium(III)]
• Formula: C114 H70 Er2 N4 O12
• Calculated formula: C114 H70 Er2 N4 O12
• SMILES: C1(c2c3ccccc3cc3ccccc23)=[O][Er]23456([n]7cccc8ccc9ccc[n]2c9c78)([O]=C(O3)c2c3c(cc7c2cccc7)cccc3)[O](C(=[O]4)c2c3ccccc3cc3ccccc23)[Er]234([n]7cccc8ccc9ccc[n]2c9c78)([O]=C(O3)c2c3ccccc3cc3ccccc23)([O]6C(=[O]4)c2c3ccccc3cc3ccccc23)([O]=C(O5)c2c3ccccc3cc3ccccc23)O1
• Title of publication: Tetrakis(μ-anthracene-9-carboxylato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(anthracene-9-carboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)]: effects of a noncoordinating anthracene ligand ring system on the final structure of a coordination complex
• Authors of publication: Liu, Chun-Sen; Guo, Liang-Qi; Yan, Li-Fen; Wang, Jun-Jie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m292 - m295
• a: 12.4951 ± 0.0002 Å
• b: 13.3839 ± 0.0002 Å
• c: 14.9579 ± 0.0002 Å
• α: 110.935 ± 0.0008°
• β: 103.176 ± 0.0008°
• γ: 106.667 ± 0.0008°
• Cell volume: 2079.97 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0245
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes