Information card for entry 7037485

Structure parameters

• Formula: C48 H70 O4 Sm2
• Calculated formula: C48 H70 O4 Sm2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sm]162345[O](c2c(ccc(c2O6)C(C)(C)C)C(C)(C)C)[Sm]23456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)[O]1c1c(ccc(c1O2)C(C)(C)C)C(C)(C)C)C)C)C)C
• Title of publication: Cooperative reduction by Ln(2+) and Cp*(-) ions: synthesis and properties of Sm, Eu, and Yb complexes with 3,6-di-tert-butyl-o-benzoquinone.
• Authors of publication: Pushkarevsky, Nikolay A.; Ogienko, Mikhail A.; Smolentsev, Anton I.; Novozhilov, Igor N.; Witt, Alexander; Khusniyarov, Marat M.; Cherkasov, Vladimir K.; Konchenko, Sergey N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1269 - 1278
• a: 10.3712 ± 0.0002 Å
• b: 10.644 ± 0.0002 Å
• c: 12.1789 ± 0.0003 Å
• α: 70.45 ± 0.001°
• β: 66.93 ± 0.001°
• γ: 69.372 ± 0.001°
• Cell volume: 1127.05 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No