Information card for entry 2215343

Structure parameters

• Chemical name: Hexakis(μ-naphthalene-1-acetato)bis[(1,10-phenanthroline)terbium(III)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C102 H84 N6 O14 Tb2
• Calculated formula: C102 H84 N6 O14 Tb2
• SMILES: [n]12cccc3c1c1[n]([Tb]456782([O]=C(Cc2c9ccccc9ccc2)O8)[O](C(Cc2cccc8c2cccc8)=[O]5)[Tb]258([n]9cccc%10c9c9[n]2cccc9cc%10)([O]4C(Cc2cccc4c2cccc4)=[O]5)([O]=C(O7)Cc2cccc4c2cccc4)(OC(=[O]6)Cc2cccc4c2cccc4)[O]=C(O8)Cc2cccc4c2cccc4)cccc1cc3.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Hexakis(μ-naphthalene-1-acetato)bis[(1,10-phenanthroline)terbium(III)] <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Xia, Hai-Tao; Liu, Yu-Fen; Wang, Da-Qi; Yang, Shu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2624 - m2624
• a: 13.4619 ± 0.0016 Å
• b: 15.086 ± 0.002 Å
• c: 22.166 ± 0.002 Å
• α: 90°
• β: 103.584 ± 0.002°
• γ: 90°
• Cell volume: 4375.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes