Information card for entry 4303901

Structure parameters

• Formula: C31 H37 Li N2 P2 Se
• Calculated formula: C31 H37 Li N2 P2 Se
• SMILES: [Se]1P(=C[P]([Li]21[N](C)(C)CC[N]2(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structural and Spectroscopic Studies of the PCP-Bridged Heavy Chalcogen-Centered Monoanions [HC(PPh2E)(PPh2)]- (E = Se, Te) and [HC(PR2E)2]- (E = Se, Te, R = Ph; E = Se, R =iPr): Homoleptic Group 12 Complexes and One-Electron Oxidation of [HC(PR2Se)2]-
• Authors of publication: Jari Konu; Heikki M. Tuononen; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11788 - 11798
• a: 8.8586 ± 0.0018 Å
• b: 19.149 ± 0.004 Å
• c: 18.131 ± 0.004 Å
• α: 90°
• β: 100.31 ± 0.03°
• γ: 90°
• Cell volume: 3026 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No