Information card for entry 4313410

Structure parameters

• Formula: C48 H54 I2 Li2 N4 O2 P2
• Calculated formula: C48 H54 I2 Li2 N4 O2 P2
• SMILES: [I]1[Li]([I][Li]1([O](CC)CC)[N]#Cc1c(N=P(c2ccccc2)(c2ccccc2)C)cccc1)([O](CC)CC)[N]#Cc1c(N=P(c2ccccc2)(c2ccccc2)C)cccc1
• Title of publication: Understanding Structure Does Not Always Explain Reactivity: A Phosphinoamide Anion Reacts as an Iminophosphide Anion
• Authors of publication: Zhaofu Fei; Rosario Scopelliti; Paul J. Dyson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2125 - 2130
• a: 20.056 ± 0.006 Å
• b: 13.951 ± 0.004 Å
• c: 18.284 ± 0.006 Å
• α: 90°
• β: 103.5 ± 0.03°
• γ: 90°
• Cell volume: 4975 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No