Information card for entry 4065271

Structure parameters

• Formula: C36 H45 B N6 O P Y
• Calculated formula: C36 H45 B N6 O P Y
• SMILES: [Y]123456(P(c7ccccc7)c7ccccc7)([n]7n([BH](n8[n]1c(C)cc8C)n1[n]2c(C)cc1C)c(cc7C)C)([cH]1[cH]3[cH]4[cH]5[cH]61)[O]1CCCC1
• 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: 13.271 ± 0.005 Å
• b: 14.013 ± 0.006 Å
• c: 19.787 ± 0.008 Å
• α: 90°
• β: 100.055 ± 0.006°
• γ: 90°
• Cell volume: 3623 ± 3 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: 0.1347
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No