Information card for entry 4304206

Structure parameters

• Formula: C16 H36 Li N P2
• Calculated formula: C16 H36 Li N P2
• SMILES: [Li]123[N](CC[P]2(C(C)C)C(C)C)(CC[P]2(C(C)C)C(C)C)[Li]24[N]1(CC[P]3(C(C)C)C(C)C)CC[P]4(C(C)C)C(C)C
• Title of publication: First-Row Transition Metal-Halide Complexes Supported by a Monoanionic [N2P2] Ligand
• Authors of publication: Wayne A. Chomitz; Seth F. Mickenberg; John Arnold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 373 - 380
• a: 13.935 ± 0.003 Å
• b: 9.6238 ± 0.0019 Å
• c: 30.537 ± 0.006 Å
• α: 90°
• β: 99.947 ± 0.003°
• γ: 90°
• Cell volume: 4033.7 ± 1.4 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• 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: 0.1113
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No