Information card for entry 4313469

Structure parameters

• Chemical name: [Di-(2-(Pyridyl-)Benzimidazolato)-Di-(2-(Pyridyl-)Benzimidazole-Samar ium(III)]-[Samarium(III)-Tetra-(2-(Pyridyl-)Benzimidazolate]
• Formula: C120 H84 N30 Sm2
• Calculated formula: C120 H84 N30 Sm2
• SMILES: c12n(c3ccccc3n1)[Sm]134([n]5ccccc25)([n]2ccccc2c2n1c1ccccc1n2)(n1c(nc2c1cccc2)c1[n]3cccc1)n1c(nc2c1cccc2)c1[n]4cccc1.[n]12ccccc1c1[n](c3ccccc3[nH]1)[Sm]1342(n2c(nc5ccccc25)c2cccc[n]32)([n]2ccccc2c2[n]1c1ccccc1[nH]2)[n]1ccccc1c1n4c2c(cccc2)n1.c1cccc(c2nc3ccccc3[nH]2)n1.c1cccc(c2nc3ccccc3[nH]2)n1
• Title of publication: Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu
• Authors of publication: Klaus Müller-Buschbaum; Catharina C. Quitmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2742 - 2750
• a: 16.901 ± 0.002 Å
• b: 16.901 ± 0.002 Å
• c: 37.595 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10739 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No