Information card for entry 4077014

Structure parameters

• Formula: C66 H112 Li2 N2 O4 P4 Si4
• Calculated formula: C33 H56 Li N O2 P2 Si2
• SMILES: [Li]1([N]([Si](C)(C)C)=P(C)(C)C(P1c1ccccc1)=C([Si](C)(C)C(C)(C)C)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• 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: 10.655 ± 0.003 Å
• b: 17.776 ± 0.005 Å
• c: 21.218 ± 0.006 Å
• α: 103.262 ± 0.006°
• β: 97.354 ± 0.006°
• γ: 94.27 ± 0.005°
• Cell volume: 3856.9 ± 1.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2863
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.644
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No