Information card for entry 4065275

Structure parameters

• Formula: C33 H33 Er N O P S
• Calculated formula: C33 H33 Er N O P S
• SMILES: [Er]123456789([S]=C(P(c%10ccccc%10)c%10ccccc%10)N1c1ccccc1)([O]1CCCC1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: Insertion of Isocyanate and Isothiocyanate into the Ln‒P σ-Bond of Organolanthanide Phosphides
• Authors of publication: Yi, Weiyin; Zhang, Jie; Hong, Longcheng; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5809
• a: 15.185 ± 0.006 Å
• b: 10.346 ± 0.004 Å
• c: 18.739 ± 0.007 Å
• α: 90°
• β: 93.496 ± 0.005°
• γ: 90°
• Cell volume: 2938 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No