Information card for entry 7023595

Structure parameters

• Formula: C50 H64 Cl8 F12 N4 O16 P2 Yb2
• Calculated formula: C50 H64 Cl8 F12 N4 O16 P2 Yb2
• SMILES: c12c(cccc1/C=[NH+]/CCC/[NH+]=Cc1cccc3[O]([Yb]4567([O](C(=[O]4)C)[Yb]489(Oc%10c(cccc%10/C=[NH+]/CCC/[NH+]=Cc%10cccc([O]8C)c%10O4)OC)([O]=C(O7)C)(OC(=[O]6)C)[O]5C(=[O]9)C)(O2)Oc13)C)OC.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: NIR luminescence and catalysis of multifarious salen type ytterbium complexes modulated by anions.
• Authors of publication: Zou, Xiaoyan; Yan, Pengfei; Zhang, Juwen; Zhang, Fengming; Hou, Guangfeng; Li, Guangming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13190 - 13199
• a: 11.7569 ± 0.0009 Å
• b: 26.2104 ± 0.0016 Å
• c: 15.0002 ± 0.0008 Å
• α: 90°
• β: 127.101 ± 0.004°
• γ: 90°
• Cell volume: 3686.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No