Information card for entry 2210719

Structure parameters

• Chemical name: Tetrakis(μ-4-chlorobenzoato)bis[(4-chlorobenzoato)(1,10- phenanthroline)dysprosium(III)]
• Formula: C66 H40 Cl6 Dy2 N4 O12
• Calculated formula: C66 H40 Cl6 Dy2 N4 O12
• SMILES: [n]12c3c(ccc2)ccc2ccc[n]([Dy]45671([O]=C(O[Dy]18([n]9cccc%10ccc%11ccc[n]1c%11c9%10)([O]=C(O6)c1ccc(cc1)Cl)([O]=C(O8)c1ccc(cc1)Cl)([O]=C(O5)c1ccc(cc1)Cl)OC(=[O]7)c1ccc(cc1)Cl)c1ccc(cc1)Cl)[O]=C(O4)c1ccc(cc1)Cl)c32
• Title of publication: Tetrakis(μ-4-chlorobenzoato)bis[(4-chlorobenzoato)(1,10-phenanthroline)dysprosium(III)]
• Authors of publication: Bi-Song Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2645 - m2647
• a: 10.071 ± 0.002 Å
• b: 11.84 ± 0.002 Å
• c: 14.3 ± 0.003 Å
• α: 111.02 ± 0.03°
• β: 96.58 ± 0.03°
• γ: 101.56 ± 0.03°
• Cell volume: 1526.6 ± 0.7 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes