Information card for entry 4077013

Structure parameters

• Formula: C27 H34 K N P2 Si
• Calculated formula: C27 H34 K N P2 Si
• SMILES: [K+].N(=P(/C=C(\[P-]c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C
• Title of publication: Lithium, Potassium, and Tin(II) Complexes of Novel 3-(Iminophosphorano)-1-phosphaallyl and 2-(Iminophosphorano)-1-phosphaallyl Ligands
• Authors of publication: Wang, Zhong-Xia; Li, Ye-Xin
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 4641
• a: 13.655 ± 0.011 Å
• b: 10.678 ± 0.008 Å
• c: 21.348 ± 0.017 Å
• α: 90°
• β: 100.412 ± 0.015°
• γ: 90°
• Cell volume: 3061 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2344
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No