Information card for entry 7013997

Structure parameters

• Formula: C78 H148 N12 O10 P4 Sm2
• Calculated formula: C78 H148 N12 O10 P4 Sm2
• SMILES: c12c(cc(cc1Cc1c(c(cc(c1)C)C(C)(C)C)[O]1[Sm](O2)([O]=P(N(C)C)(N(C)C)N(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]2c3c(cc(cc3Cc3c(c(cc(c3)C)C(C)(C)C)O[Sm]12([O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(C)C)C)C(C)(C)C)C)C(C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Novel lanthanide(II) complexes supported by carbon-bridged biphenolate ligands: synthesis, structure and catalytic activity.
• Authors of publication: Deng, Mingyu; Yao, Yingming; Shen, Qi; Zhang, Yong; Sun, Jin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 944 - 950
• a: 12.051 ± 0.002 Å
• b: 28.238 ± 0.003 Å
• c: 16.433 ± 0.003 Å
• α: 90°
• β: 111.652 ± 0.007°
• γ: 90°
• Cell volume: 5197.5 ± 1.4 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No