Information card for entry 7013998

Structure parameters

• Formula: C97 H168 N6 O14 P2 Yb2
• Calculated formula: C96 H166 N6 O14 P2 Yb2
• SMILES: N(P(N(C)C)(N(C)C)=[O][Yb]12(Oc3c(cc(cc3Cc3c(c(cc(c3)C)C(C)(C)C)[O]1[Yb]1([O]2c2c(cc(cc2Cc2c(c(cc(c2)C)C(C)(C)C)O1)C)C(C)(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)[O]1CCCC1)C)C(C)(C)C)[O]1CCCC1)(C)C.O1CCCC1.O1CCCC1.O1CCCC1.c1ccccc1.O1CCCC1.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: 12.4386 ± 0.0015 Å
• b: 15.4095 ± 0.0018 Å
• c: 16.036 ± 0.002 Å
• α: 108.792 ± 0.004°
• β: 109.163 ± 0.004°
• γ: 99.71°
• Cell volume: 2616 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No