Information card for entry 4338974

Structure parameters

• Chemical name: Bis[Bis(hydrido(tris-(3,5-dimethylpyrazolyl)borato)samarium(III)]- (mu-anthraquinone)
• Formula: C76 H100 B4 Cl4 N24 O2 Sm2
• Calculated formula: C76 H100 B4 Cl4 N24 O2 Sm2
• SMILES: [BH]12n3[n](c(C)cc3C)[Sm]34([n]5n1c(cc5C)C)([n]1n2c(cc1C)C)([n]1n([BH](n2[n]3c(cc2C)C)n2c(cc(C)[n]42)C)c(cc1C)C)Oc1c2c(c(c3c1cccc3)O[Sm]1345([n]6c(cc(n6[BH](n6[n]1c(cc6C)C)n1[n]3c(cc1C)C)C)C)[n]1n([BH](n3[n]4c(cc3C)C)n3c(cc(C)[n]53)C)c(cc1C)C)cccc2.C(Cl)Cl.C(Cl)Cl
• Title of publication: Trapping of anionic organic radicals by (TpMe2)2Ln (Ln = Sm, Eu).
• Authors of publication: Domingos, Angela; Lopes, Irene; Waerenborgh, João C; Marques, Noémia; Lin, G. Y.; Zhang, X. W.; Takats, Josef; McDonald, Robert; Hillier, Anna C.; Sella, Andrea; Elsegood, Mark R. J.; Day, Victor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9415 - 9424
• a: 10.8129 ± 0.0016 Å
• b: 14.0111 ± 0.0019 Å
• c: 14.493 ± 0.002 Å
• α: 102.135 ± 0.004°
• β: 93.804 ± 0.004°
• γ: 91.768 ± 0.004°
• Cell volume: 2139.6 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No