Information card for entry 2014687

Structure parameters

• Chemical name: di-μ-4-methylbenzoato-κ^4^O:O'-bis[bis(4-methylbenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')dysprosium(III)] tetra-μ-4-methylbenzoato-κ^8^O:O'-bis[(4-methylbenzoato- κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')dysprosium(III)]
• Formula: C72 H58 Dy2 N4 O12
• Calculated formula: C72 H58 Dy2 N4 O12
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Dy]1234([O]=C(O1)c1ccc(cc1)C)([O]=C(O2)c1ccc(cc1)C)[O]=C(O[Dy]124([n]5cccc6ccc7ccc[n]1c7c56)([O]=C(O2)c1ccc(cc1)C)([O]=C(O4)c1ccc(cc1)C)[O]=C(O3)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Dimeric hexakis(4-methylbenzoato)bis(1,10-phenanthroline)didysprosium(III)
• Authors of publication: Li, Xia; Zhang, Zhuo-Yong; Wang, Dao-Yong; Song, Hai-Bin; Zou, Ying-Quan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m81 - m83
• a: 12.76 ± 0.008 Å
• b: 13.346 ± 0.009 Å
• c: 19.758 ± 0.013 Å
• α: 91.619 ± 0.012°
• β: 97.925 ± 0.011°
• γ: 106.44 ± 0.01°
• Cell volume: 3188 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes