Information card for entry 7006608

Structure parameters

• Formula: C54 H58 Dy2 N4 O4 S2
• Calculated formula: C54 H58 Dy2 N4 O4 S2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Dy]16789%102345([cH]2[cH]%10[cH]7[cH]6[cH]12)[N](=C([O]9[Dy]12345679%10([cH]%11[cH]1[cH]2[cH]3[cH]4%11)([cH]1[cH]%10[cH]7[cH]6[cH]51)[N](=C([O]89)Sc1ccc(cc1)N)c1ccccc1)Sc1ccc(cc1)N)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Unusual modification methods for the ureido ligand of lanthanocene derivatives.
• Authors of publication: Zhang, Jie; Cai, Ruifang; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 9
• Pages of publication: 1168 - 1173
• a: 11.181 ± 0.004 Å
• b: 11.41 ± 0.004 Å
• c: 12.07 ± 0.004 Å
• α: 115.574 ± 0.004°
• β: 101.615 ± 0.004°
• γ: 100.959 ± 0.005°
• Cell volume: 1291.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No