Information card for entry 4080934

Structure parameters

• Formula: C102 H126 Cl4 N16 O2 Yb2
• Calculated formula: C102 H126 Cl4 N16 O2 Yb2
• SMILES: C1(=[N]2c3cccc4cccc(N5C(=[N](C(C)C)[Yb]625(NC(=C(C#[N][Yb]257([N](C(C)C)=C(N2c2cccc8cccc([N]7=C(N5C(C)C)NC(C)C)c28)NC(C)C)(NC(=C(C#[N]6)c2ccc(cc2)Cl)Cc2ccc(cc2)Cl)[O]2CCCC2)c2ccc(cc2)Cl)Cc2ccc(cc2)Cl)(N1C(C)C)[O]1CCCC1)NC(C)C)c34)NC(C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis of a Naphthalene-Bridged Bis(guanidinato)ytterbium(II) Complex and an Unexpected Pathway in Its Reaction with CH3CN,p-ClC6H4CH2CN, and Ph2CHCN
• Authors of publication: Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 13
• Pages of publication: 3618
• a: 14.372 ± 0.004 Å
• b: 21.107 ± 0.005 Å
• c: 16.541 ± 0.004 Å
• α: 90°
• β: 90.723 ± 0.006°
• γ: 90°
• Cell volume: 5017 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No